(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid

C14H24N2O3 — CID 81125798

IUPAC(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)NCCC2CCCC2)C1
InChIInChI=1S/C14H24N2O3/c17-13(18)12-6-3-9-16(10-12)14(19)15-8-7-11-4-1-2-5-11/h11-12H,1-10H2,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyNHOKVEHMDBRMLN-LBPRGKRZSA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds4

About (3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid

(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 81125798) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID81125798
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)NCCC2CCCC2)C1
InChIInChI=1S/C14H24N2O3/c17-13(18)12-6-3-9-16(10-12)14(19)15-8-7-11-4-1-2-5-11/h11-12H,1-10H2,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyNHOKVEHMDBRMLN-LBPRGKRZSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
(3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 114131749
N-(2-cyclohexylethyl)-3-hydroxypiperidine-1-carboxamide
CID 110896376
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83113986
(3R)-1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83114124
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
(3R)-1-(but-3-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 81120069
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
(3S)-1-(2-cyclopentyloxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125882
(3R)-1-(2-cyclopentyloxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120067

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid (CID 81125798) is (3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)NCCC2CCCC2)C1.
What is the InChIKey of (3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is NHOKVEHMDBRMLN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(18)12-6-3-9-16(10-12)14(19)15-8-7-11-4-1-2-5-11/h11-12H,1-10H2,(H,15,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid?
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81125798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).