1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid

C15H26N2O3 — CID 114549111

IUPAC1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C)CCC(NC(=O)N2CCCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C15H26N2O3/c1-14(2)7-5-11(9-14)16-13(20)17-8-4-6-15(3,10-17)12(18)19/h11H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyFDAOEWLXLRKSEC-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds2

About 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid

1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 114549111) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID114549111
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C)CCC(NC(=O)N2CCCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C15H26N2O3/c1-14(2)7-5-11(9-14)16-13(20)17-8-4-6-15(3,10-17)12(18)19/h11H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyFDAOEWLXLRKSEC-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-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

3-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63135568
1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 113475807
1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136585
1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63138272
1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003
1-[(2,2-dimethyloxan-4-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 83029338
1-[(4-methoxycyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017394
2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 114549086
1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978629
cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106319764
3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031454
1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 65042596

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid (CID 114549111) is 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid is CC1(C)CCC(NC(=O)N2CCCC(C)(C(=O)O)C2)C1.
What is the InChIKey of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is FDAOEWLXLRKSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2)7-5-11(9-14)16-13(20)17-8-4-6-15(3,10-17)12(18)19/h11H,4-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 114549111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).