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

C15H26N2O3 — CID 79525817

IUPAC4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCCN(C(=O)NCC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C15H26N2O3/c1-11-3-2-8-17(10-11)15(20)16-9-12-4-6-13(7-5-12)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyQQNLDGSYIBZPRX-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.32
Rot. Bonds3

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

4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79525817) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79525817
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCCN(C(=O)NCC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C15H26N2O3/c1-11-3-2-8-17(10-11)15(20)16-9-12-4-6-13(7-5-12)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyQQNLDGSYIBZPRX-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525376
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525234
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
4-[[(2,6-dimethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524647
1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 60855267
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide
CID 107295549
N-[(3-hydroxycyclohexyl)methyl]-3-methylpiperidine-1-carboxamide
CID 106124949
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79525817) is 4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is CC1CCCN(C(=O)NCC2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is QQNLDGSYIBZPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-3-2-8-17(10-11)15(20)16-9-12-4-6-13(7-5-12)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79525817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).