2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H24N2O4 — CID 102962212

IUPAC2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCN(C(=O)NC2CCCCC2C(=O)O)CC1O
InChIInChI=1S/C14H24N2O4/c1-9-6-7-16(8-12(9)17)14(20)15-11-5-3-2-4-10(11)13(18)19/h9-12,17H,2-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyKHXASGJNUJBCJJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.04
Rot. Bonds2

About 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 102962212) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID102962212
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCN(C(=O)NC2CCCCC2C(=O)O)CC1O
InChIInChI=1S/C14H24N2O4/c1-9-6-7-16(8-12(9)17)14(20)15-11-5-3-2-4-10(11)13(18)19/h9-12,17H,2-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyKHXASGJNUJBCJJ-UHFFFAOYSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-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

2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 114679599
N-cyclopentyl-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896284
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962999
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815387
2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815431
2-[(4-tert-butylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64817139
4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 102961866
4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63722176
2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 66369912
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 102962212) is 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CCN(C(=O)NC2CCCCC2C(=O)O)CC1O.
What is the InChIKey of 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KHXASGJNUJBCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9-6-7-16(8-12(9)17)14(20)15-11-5-3-2-4-10(11)13(18)19/h9-12,17H,2-8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102962212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).