(3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid

C15H25NO3 — CID 95017407

IUPAC(3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCC[C@]1(C(=O)O)CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C15H25NO3/c1-2-15(14(18)19)8-5-9-16(11-15)13(17)10-12-6-3-4-7-12/h12H,2-11H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyBALHSGGYHHZWLB-HNNXBMFYSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds4

About (3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid

(3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 95017407) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID95017407
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCC[C@]1(C(=O)O)CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C15H25NO3/c1-2-15(14(18)19)8-5-9-16(11-15)13(17)10-12-6-3-4-7-12/h12H,2-11H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyBALHSGGYHHZWLB-HNNXBMFYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic Acid
CID 943458
1,2,2-Trimethyl-3-(piperidine-1-carbonyl)-cyclopentanecarboxylic acid
CID 3151271
2-[1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid;hydrochloride
CID 16196812
2-[1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 1547710
1-(2,2-Dimethylpropanoyl)piperidine-3-carboxylic acid
CID 16228559
2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]acetic acid
CID 11912379
1-(2-Methylbutanoyl)piperidine-3-carboxylic acid
CID 16794986
1-Butanoylpiperidine-3-carboxylic acid
CID 20118758
2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetic acid
CID 7673433
1-Cyclopentanecarbonyl-4-methyl-piperidine-4-carboxylic acid
CID 63123243
3-[(3R)-1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
CID 97338893
2-[1-[2-(Diethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655384

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid (CID 95017407) is (3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid is CC[C@]1(C(=O)O)CCCN(C(=O)CC2CCCC2)C1.
What is the InChIKey of (3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is BALHSGGYHHZWLB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-15(14(18)19)8-5-9-16(11-15)13(17)10-12-6-3-4-7-12/h12H,2-11H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid?
(3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 95017407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).