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

C15H26N2O3 — CID 79525938

IUPAC4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1(C(=O)NCC2CCC(C(=O)O)CC2)CCCNC1
InChIInChI=1S/C15H26N2O3/c1-15(7-2-8-16-10-15)14(20)17-9-11-3-5-12(6-4-11)13(18)19/h11-12,16H,2-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyGBUFGFXJCDQAMU-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.38
Rot. Bonds4

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

4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79525938) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79525938
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1(C(=O)NCC2CCC(C(=O)O)CC2)CCCNC1
InChIInChI=1S/C15H26N2O3/c1-15(7-2-8-16-10-15)14(20)17-9-11-3-5-12(6-4-11)13(18)19/h11-12,16H,2-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyGBUFGFXJCDQAMU-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
4-[[(2-methylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526034
N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119672528
N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119945451
1-methyl-N-(piperidin-4-ylmethyl)cyclobutane-1-carboxamide
CID 166176335
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114146551
N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943977
N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide
CID 72863494
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
1-methyl-N-(piperidin-4-ylmethyl)cyclopropane-1-carboxamide
CID 130163320
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylpiperidine-3-carboxamide
CID 65119149

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79525938) is 4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is CC1(C(=O)NCC2CCC(C(=O)O)CC2)CCCNC1.
What is the InChIKey of 4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is GBUFGFXJCDQAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(7-2-8-16-10-15)14(20)17-9-11-3-5-12(6-4-11)13(18)19/h11-12,16H,2-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79525938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).