1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea

C97H202N24O6 — CID 159146038

IUPAC1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea
SMILESCC(C)CNC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)CNC(=O)NC1(CN(C)C)CCN(C(C)C)CC1.CC(C)NC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)NC(=O)NC1(CN(C)C)CCN(C(C)C)CC1.CCN1CCN(CC2(NC(=O)NC(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)NCC(C)C)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H41N5O.C19H39N5O.C16H34N4O.C15H32N4O.C14H29N3O.C13H27N3O/c1-6-23-11-13-24(14-12-23)16-20(22-19(26)21-15-17(2)3)7-9-25(10-8-20)18(4)5;1-6-22-11-13-23(14-12-22)15-19(21-18(25)20-16(2)3)7-9-24(10-8-19)17(4)5;1-13(2)11-17-15(21)18-16(12-19(5)6)7-9-20(10-8-16)14(3)4;1-12(2)16-14(20)17-15(11-18(5)6)7-9-19(10-8-15)13(3)4;1-11(2)10-15-13(18)16-14(5)6-8-17(9-7-14)12(3)4;1-10(2)14-12(17)15-13(5)6-8-16(9-7-13)11(3)4/h17-18H,6-16H2,1-5H3,(H2,21,22,26);16-17H,6-15H2,1-5H3,(H2,20,21,25);13-14H,7-12H2,1-6H3,(H2,17,18,21);12-13H,7-11H2,1-6H3,(H2,16,17,20);11-12H,6-10H2,1-5H3,(H2,15,16,18);10-11H,6-9H2,1-5H3,(H2,14,15,17)
InChIKeyKIRPRFCKMYUWAY-UHFFFAOYSA-N
MW1800.84 g/mol
LogP10.80
Rot. Bonds31

About 1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea

1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea (PubChem CID 159146038) has the molecular formula C97H202N24O6 and a molecular weight of 1800.84 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea
PubChem CID159146038
Molecular FormulaC97H202N24O6
Molecular Weight1800.84 g/mol
Exact Mass1799.62
IUPAC Name1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea
SMILESCC(C)CNC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)CNC(=O)NC1(CN(C)C)CCN(C(C)C)CC1.CC(C)NC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)NC(=O)NC1(CN(C)C)CCN(C(C)C)CC1.CCN1CCN(CC2(NC(=O)NC(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)NCC(C)C)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H41N5O.C19H39N5O.C16H34N4O.C15H32N4O.C14H29N3O.C13H27N3O/c1-6-23-11-13-24(14-12-23)16-20(22-19(26)21-15-17(2)3)7-9-25(10-8-20)18(4)5;1-6-22-11-13-23(14-12-22)15-19(21-18(25)20-16(2)3)7-9-24(10-8-19)17(4)5;1-13(2)11-17-15(21)18-16(12-19(5)6)7-9-20(10-8-16)14(3)4;1-12(2)16-14(20)17-15(11-18(5)6)7-9-19(10-8-15)13(3)4;1-11(2)10-15-13(18)16-14(5)6-8-17(9-7-14)12(3)4;1-10(2)14-12(17)15-13(5)6-8-16(9-7-13)11(3)4/h17-18H,6-16H2,1-5H3,(H2,21,22,26);16-17H,6-15H2,1-5H3,(H2,20,21,25);13-14H,7-12H2,1-6H3,(H2,17,18,21);12-13H,7-11H2,1-6H3,(H2,16,17,20);11-12H,6-10H2,1-5H3,(H2,15,16,18);10-11H,6-9H2,1-5H3,(H2,14,15,17)
InChIKeyKIRPRFCKMYUWAY-UHFFFAOYSA-N
XLogP10.80
TPSA285.66 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds31
Heavy Atoms127
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001800.84
LogP ≤ 510.80
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze 1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea?
The IUPAC name of 1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea (CID 159146038) is 1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea is CC(C)CNC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)CNC(=O)NC1(CN(C)C)CCN(C(C)C)CC1.CC(C)NC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)NC(=O)NC1(CN(C)C)CCN(C(C)C)CC1.CCN1CCN(CC2(NC(=O)NC(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)NCC(C)C)CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea?
The InChIKey is KIRPRFCKMYUWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5O.C19H39N5O.C16H34N4O.C15H32N4O.C14H29N3O.C13H27N3O/c1-6-23-11-13-24(14-12-23)16-20(22-19(26)21-15-17(2)3)7-9-25(10-8-20)18(4)5;1-6-22-11-13-23(14-12-22)15-19(21-18(25)20-16(2)3)7-9-24(10-8-19)17(4)5;1-13(2)11-17-15(21)18-16(12-19(5)6)7-9-20(10-8-16)14(3)4;1-12(2)16-14(20)17-15(11-18(5)6)7-9-19(10-8-15)13(3)4;1-11(2)10-15-13(18)16-14(5)6-8-17(9-7-14)12(3)4;1-10(2)14-12(17)15-13(5)6-8-16(9-7-13)11(3)4/h17-18H,6-16H2,1-5H3,(H2,21,22,26);16-17H,6-15H2,1-5H3,(H2,20,21,25);13-14H,7-12H2,1-6H3,(H2,17,18,21);12-13H,7-11H2,1-6H3,(H2,16,17,20);11-12H,6-10H2,1-5H3,(H2,15,16,18);10-11H,6-9H2,1-5H3,(H2,14,15,17).
What are the key properties of 1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea?
1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea has a molecular weight of 1800.84 g/mol, XLogP of 10.80, 31 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea is sourced from PubChem (CID 159146038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).