1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C16H28N2O3 — CID 82763836

IUPAC1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCC1(C(=O)NC2CCCC2(C)C(=O)O)CCCNC1
InChIInChI=1S/C16H28N2O3/c1-3-7-16(9-5-10-17-11-16)13(19)18-12-6-4-8-15(12,2)14(20)21/h12,17H,3-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAGGUIQYCUGMKHO-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.92
Rot. Bonds5

About 1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 82763836) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID82763836
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCC1(C(=O)NC2CCCC2(C)C(=O)O)CCCNC1
InChIInChI=1S/C16H28N2O3/c1-3-7-16(9-5-10-17-11-16)13(19)18-12-6-4-8-15(12,2)14(20)21/h12,17H,3-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAGGUIQYCUGMKHO-UHFFFAOYSA-N
XLogP1.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82763010
2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813514
N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide
CID 63130418
N-cyclopentyl-3-propylpyrrolidine-3-carboxamide
CID 63141137
N-cyclobutyl-3-propylpyrrolidine-3-carboxamide
CID 63142561
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213565
1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83213709
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-propylpiperidine-3-carboxamide
CID 63132987
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide
CID 106361369
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 82763836) is 1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is CCCC1(C(=O)NC2CCCC2(C)C(=O)O)CCCNC1.
What is the InChIKey of 1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is AGGUIQYCUGMKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-7-16(9-5-10-17-11-16)13(19)18-12-6-4-8-15(12,2)14(20)21/h12,17H,3-11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).