(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid

C15H26N2O3 — CID 81123969

IUPAC(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CCCCCC1NC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-11-6-3-2-4-8-13(11)16-15(20)17-9-5-7-12(10-17)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)/t11?,12-,13?/m0/s1
InChIKeyXYBFFWFNCSMFKC-CPCZMJQVSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds2

About (3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81123969) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81123969
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CCCCCC1NC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-11-6-3-2-4-8-13(11)16-15(20)17-9-5-7-12(10-17)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)/t11?,12-,13?/m0/s1
InChIKeyXYBFFWFNCSMFKC-CPCZMJQVSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
N-(2-methylcycloheptyl)piperidine-1-carboxamide
CID 115665269
1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 114505369
5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122122689
1-[(2-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 82727888
3-(hydroxymethyl)-N-(2-methylcyclohexyl)piperidine-1-carboxamide
CID 110882587
(3R)-1-[(3-ethyl-2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 81119833
4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63722176
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122001829
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 114679599

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid (CID 81123969) is (3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid is CC1CCCCCC1NC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is XYBFFWFNCSMFKC-CPCZMJQVSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-6-3-2-4-8-13(11)16-15(20)17-9-5-7-12(10-17)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)/t11?,12-,13?/m0/s1.
What are the key properties of (3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81123969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).