3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid

C16H28N2O3 — CID 63829635

IUPAC3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)NCC2(C)CCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-3-16(13(19)20)9-6-10-18(12-16)14(21)17-11-15(2)7-4-5-8-15/h3-12H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyIZGPGMMAJASSAV-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds4

About 3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid

3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 63829635) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID63829635
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)NCC2(C)CCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-3-16(13(19)20)9-6-10-18(12-16)14(21)17-11-15(2)7-4-5-8-15/h3-12H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyIZGPGMMAJASSAV-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(2-methylsulfanylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63960365
1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63137242
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736
3-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63829455
1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63138228
1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107394038
3-ethyl-1-[(2-methylthiolan-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 80744572
3-ethyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 63959438
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
N-[(1-methylcyclobutyl)methyl]piperidine-1-carboxamide
CID 103736206
3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136060

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 63829635) is 3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)NCC2(C)CCCC2)C1.
What is the InChIKey of 3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is IZGPGMMAJASSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-16(13(19)20)9-6-10-18(12-16)14(21)17-11-15(2)7-4-5-8-15/h3-12H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid?
3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63829635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).