2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one

C69H141N13O5 — CID 165038974

IUPAC2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
SMILESCC(C)CC(C(=O)N1CCN(C(C)C)CC1)N(C)C.CC(C)CC(CN)C(=O)N1CCN(C(C)C)CC1.CC(C)CC(N)C(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(=O)C(C)(C)C)CC1.CCC(CC(C)C)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C15H31N3O.C15H30N2O.C14H29N3O.C13H27N3O.C12H24N2O/c1-12(2)11-14(16(5)6)15(19)18-9-7-17(8-10-18)13(3)4;1-6-14(11-12(2)3)15(18)17-9-7-16(8-10-17)13(4)5;1-11(2)9-13(10-15)14(18)17-7-5-16(6-8-17)12(3)4;1-10(2)9-12(14)13(17)16-7-5-15(6-8-16)11(3)4;1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5/h12-14H,7-11H2,1-6H3;12-14H,6-11H2,1-5H3;11-13H,5-10,15H2,1-4H3;10-12H,5-9,14H2,1-4H3;10H,6-9H2,1-5H3
InChIKeyNVBQVHACVSTPNL-UHFFFAOYSA-N
MW1232.97 g/mol
LogP7.78
Rot. Bonds20

About 2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one

2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one (PubChem CID 165038974) has the molecular formula C69H141N13O5 and a molecular weight of 1232.97 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
PubChem CID165038974
Molecular FormulaC69H141N13O5
Molecular Weight1232.97 g/mol
Exact Mass1232.12
IUPAC Name2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
SMILESCC(C)CC(C(=O)N1CCN(C(C)C)CC1)N(C)C.CC(C)CC(CN)C(=O)N1CCN(C(C)C)CC1.CC(C)CC(N)C(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(=O)C(C)(C)C)CC1.CCC(CC(C)C)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C15H31N3O.C15H30N2O.C14H29N3O.C13H27N3O.C12H24N2O/c1-12(2)11-14(16(5)6)15(19)18-9-7-17(8-10-18)13(3)4;1-6-14(11-12(2)3)15(18)17-9-7-16(8-10-17)13(4)5;1-11(2)9-13(10-15)14(18)17-7-5-16(6-8-17)12(3)4;1-10(2)9-12(14)13(17)16-7-5-15(6-8-16)11(3)4;1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5/h12-14H,7-11H2,1-6H3;12-14H,6-11H2,1-5H3;11-13H,5-10,15H2,1-4H3;10-12H,5-9,14H2,1-4H3;10H,6-9H2,1-5H3
InChIKeyNVBQVHACVSTPNL-UHFFFAOYSA-N
XLogP7.78
TPSA173.03 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001232.97
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one (CID 165038974) is 2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one is CC(C)CC(C(=O)N1CCN(C(C)C)CC1)N(C)C.CC(C)CC(CN)C(=O)N1CCN(C(C)C)CC1.CC(C)CC(N)C(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(=O)C(C)(C)C)CC1.CCC(CC(C)C)C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
The InChIKey is NVBQVHACVSTPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.C15H30N2O.C14H29N3O.C13H27N3O.C12H24N2O/c1-12(2)11-14(16(5)6)15(19)18-9-7-17(8-10-18)13(3)4;1-6-14(11-12(2)3)15(18)17-9-7-16(8-10-17)13(4)5;1-11(2)9-13(10-15)14(18)17-7-5-16(6-8-17)12(3)4;1-10(2)9-12(14)13(17)16-7-5-15(6-8-16)11(3)4;1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5/h12-14H,7-11H2,1-6H3;12-14H,6-11H2,1-5H3;11-13H,5-10,15H2,1-4H3;10-12H,5-9,14H2,1-4H3;10H,6-9H2,1-5H3.
What are the key properties of 2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one has a molecular weight of 1232.97 g/mol, XLogP of 7.78, 20 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-amino-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2-(dimethylamino)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2-ethyl-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 165038974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).