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

C16H28N2O3 — CID 114424364

IUPAC4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)C2CC(C)CCN2)(C(=O)O)CC1
InChIInChI=1S/C16H28N2O3/c1-11-3-6-16(7-4-11,15(20)21)10-18-14(19)13-9-12(2)5-8-17-13/h11-13,17H,3-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMKJYATONMOUBMB-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.77
Rot. Bonds4

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

4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 114424364) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID114424364
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)C2CC(C)CCN2)(C(=O)O)CC1
InChIInChI=1S/C16H28N2O3/c1-11-3-6-16(7-4-11,15(20)21)10-18-14(19)13-9-12(2)5-8-17-13/h11-13,17H,3-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMKJYATONMOUBMB-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]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

4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104901353
1-[(azepane-2-carbonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442641
4-methyl-1-[[(2-methylpiperidine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106740478
4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 114429382
4-methyl-N-[(4-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114424006
4-methyl-1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115442616
4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide
CID 106186997
1-[(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440989
N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587
N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
CID 114424437
N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
CID 130551928
4-methyl-1-[[(2-methyloxolane-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115440844

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 114424364) is 4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is CC1CCC(CNC(=O)C2CC(C)CCN2)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is MKJYATONMOUBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-3-6-16(7-4-11,15(20)21)10-18-14(19)13-9-12(2)5-8-17-13/h11-13,17H,3-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114424364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).