1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid

C16H28N2O3 — CID 63136585

IUPAC1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCCC1CCC(NC(=O)N2CCCC(C)(C(=O)O)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-12-5-7-13(8-6-12)17-15(21)18-10-4-9-16(2,11-18)14(19)20/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyYFPPAQHWGCHXHR-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds3

About 1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid

1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63136585) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63136585
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCCC1CCC(NC(=O)N2CCCC(C)(C(=O)O)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-12-5-7-13(8-6-12)17-15(21)18-10-4-9-16(2,11-18)14(19)20/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyYFPPAQHWGCHXHR-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-methyl-1-[(1-methylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63135568
1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 114549111
1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 113475807
1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003
1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63138272
1-[(4-methoxycyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017394
1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468
1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 65042596
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
3-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63135667
N-(4-hydroxycyclohexyl)-3-methyl-3-propylpiperidine-1-carboxamide
CID 111470967
4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023316

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid (CID 63136585) is 1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid is CCC1CCC(NC(=O)N2CCCC(C)(C(=O)O)C2)CC1.
What is the InChIKey of 1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is YFPPAQHWGCHXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-12-5-7-13(8-6-12)17-15(21)18-10-4-9-16(2,11-18)14(19)20/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).