1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane

C28H51N5O2 — CID 172611585

IUPAC1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane
SMILESCC(C)C.Cc1nc(CC2CCN(C(=O)CN3CCNC(CC(C)C)C3=O)CC2)n(C(C)C)c1C
InChIInChI=1S/C24H41N5O2.C4H10/c1-16(2)13-21-24(31)28(12-9-25-21)15-23(30)27-10-7-20(8-11-27)14-22-26-18(5)19(6)29(22)17(3)4;1-4(2)3/h16-17,20-21,25H,7-15H2,1-6H3;4H,1-3H3
InChIKeyFNLPNYWSPITHCX-UHFFFAOYSA-N
MW489.75 g/mol
LogP4.37
Rot. Bonds7

About 1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane

1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane (PubChem CID 172611585) has the molecular formula C28H51N5O2 and a molecular weight of 489.75 g/mol. Its IUPAC name is 1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane.

Molecular Properties

Compound Name1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane
PubChem CID172611585
Molecular FormulaC28H51N5O2
Molecular Weight489.75 g/mol
Exact Mass489.40
IUPAC Name1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane
SMILESCC(C)C.Cc1nc(CC2CCN(C(=O)CN3CCNC(CC(C)C)C3=O)CC2)n(C(C)C)c1C
InChIInChI=1S/C24H41N5O2.C4H10/c1-16(2)13-21-24(31)28(12-9-25-21)15-23(30)27-10-7-20(8-11-27)14-22-26-18(5)19(6)29(22)17(3)4;1-4(2)3/h16-17,20-21,25H,7-15H2,1-6H3;4H,1-3H3
InChIKeyFNLPNYWSPITHCX-UHFFFAOYSA-N
XLogP4.37
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.75
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane?
The IUPAC name of 1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane (CID 172611585) is 1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane.
What is the SMILES notation for 1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane?
The canonical SMILES for 1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane is CC(C)C.Cc1nc(CC2CCN(C(=O)CN3CCNC(CC(C)C)C3=O)CC2)n(C(C)C)c1C.
What is the InChIKey of 1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane?
The InChIKey is FNLPNYWSPITHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O2.C4H10/c1-16(2)13-21-24(31)28(12-9-25-21)15-23(30)27-10-7-20(8-11-27)14-22-26-18(5)19(6)29(22)17(3)4;1-4(2)3/h16-17,20-21,25H,7-15H2,1-6H3;4H,1-3H3.
What are the key properties of 1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane?
1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane has a molecular weight of 489.75 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane is sourced from PubChem (CID 172611585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).