1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid

C16H28N2O3 — CID 63128781

IUPAC1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCCC1(C(=O)NC2(C(=O)O)CCC(C)CC2)CCNCC1
InChIInChI=1S/C16H28N2O3/c1-3-15(8-10-17-11-9-15)13(19)18-16(14(20)21)6-4-12(2)5-7-16/h12,17H,3-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyGVFYJEHKUJELCH-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.92
Rot. Bonds4

About 1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid

1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 63128781) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID63128781
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCCC1(C(=O)NC2(C(=O)O)CCC(C)CC2)CCNCC1
InChIInChI=1S/C16H28N2O3/c1-3-15(8-10-17-11-9-15)13(19)18-16(14(20)21)6-4-12(2)5-7-16/h12,17H,3-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyGVFYJEHKUJELCH-UHFFFAOYSA-N
XLogP1.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid (CID 63128781) is 1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid is CCC1(C(=O)NC2(C(=O)O)CCC(C)CC2)CCNCC1.
What is the InChIKey of 1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is GVFYJEHKUJELCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-15(8-10-17-11-9-15)13(19)18-16(14(20)21)6-4-12(2)5-7-16/h12,17H,3-11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylpiperidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63128781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).