5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid

C14H24N2O3 — CID 122122689

IUPAC5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC2CCCC2C)C1
InChIInChI=1S/C14H24N2O3/c1-9-6-11(13(17)18)8-16(7-9)14(19)15-12-5-3-4-10(12)2/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPGJLHQNVUONEEL-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.93
Rot. Bonds2

About 5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122122689) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122122689
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC2CCCC2C)C1
InChIInChI=1S/C14H24N2O3/c1-9-6-11(13(17)18)8-16(7-9)14(19)15-12-5-3-4-10(12)2/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPGJLHQNVUONEEL-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969
N-(2-methylcycloheptyl)piperidine-1-carboxamide
CID 115665269
5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028
4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63722176
2-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744292
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122872
1-[[(3S,4S)-4-methoxyoxolan-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124143
5-methyl-1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122461
N-(2-methylcyclopentyl)morpholine-4-carboxamide
CID 115613523
1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122016523
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118029

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid (CID 122122689) is 5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NC2CCCC2C)C1.
What is the InChIKey of 5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is PGJLHQNVUONEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-6-11(13(17)18)8-16(7-9)14(19)15-12-5-3-4-10(12)2/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122122689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).