1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 82763010

IUPAC1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)NC2CCCC2(C)C(=O)O)CCCNC1
InChIInChI=1S/C14H24N2O3/c1-13(6-4-8-15-9-13)11(17)16-10-5-3-7-14(10,2)12(18)19/h10,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBGXUGWFKTGXHGZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.14
Rot. Bonds3

About 1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 82763010) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID82763010
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)NC2CCCC2(C)C(=O)O)CCCNC1
InChIInChI=1S/C14H24N2O3/c1-13(6-4-8-15-9-13)11(17)16-10-5-3-7-14(10,2)12(18)19/h10,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBGXUGWFKTGXHGZ-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83213709
1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82763836
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 82762890
2-(1,4-diazepane-1-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762966
1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 82762406
N-(3,3-dimethylcyclopentyl)-3-methylpiperidine-3-carboxamide
CID 115977020
3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 63130240
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
N-(2-hydroxycyclohexyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 110931002
3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide
CID 63135348
3-methylpiperidine-3-carbohydrazide
CID 63991806

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 82763010) is 1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is CC1(C(=O)NC2CCCC2(C)C(=O)O)CCCNC1.
What is the InChIKey of 1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is BGXUGWFKTGXHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(6-4-8-15-9-13)11(17)16-10-5-3-7-14(10,2)12(18)19/h10,15H,3-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).