3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide

C19H36N4O2 — CID 119597716

IUPAC3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide
SMILESCC(C)CC(C)(CN)NC(=O)C1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C19H36N4O2/c1-14(2)11-19(3,13-20)22-17(24)15-7-6-10-23(12-15)18(25)21-16-8-4-5-9-16/h14-16H,4-13,20H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyVOPWSUGAIDBDDT-UHFFFAOYSA-N
MW352.52 g/mol
LogP2.23
Rot. Bonds6

About 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide

3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide (PubChem CID 119597716) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide
PubChem CID119597716
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide
SMILESCC(C)CC(C)(CN)NC(=O)C1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C19H36N4O2/c1-14(2)11-19(3,13-20)22-17(24)15-7-6-10-23(12-15)18(25)21-16-8-4-5-9-16/h14-16H,4-13,20H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyVOPWSUGAIDBDDT-UHFFFAOYSA-N
XLogP2.23
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(1-amino-2-methylpropan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide
CID 119521732
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119599783
N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride
CID 119599741
3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119598315
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119598801
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119599561
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797
1-N-cyclopentyl-3-N-[2-(methylamino)ethyl]piperidine-1,3-dicarboxamide
CID 119500364
N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119597802

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide (CID 119597716) is 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide is CC(C)CC(C)(CN)NC(=O)C1CCCN(C(=O)NC2CCCC2)C1.
What is the InChIKey of 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide?
The InChIKey is VOPWSUGAIDBDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-14(2)11-19(3,13-20)22-17(24)15-7-6-10-23(12-15)18(25)21-16-8-4-5-9-16/h14-16H,4-13,20H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide?
3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide has a molecular weight of 352.52 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 119597716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).