(3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide

C13H22N2O2 — CID 95239038

IUPAC(3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C13H22N2O2/c14-13(17)11-6-3-7-15(9-11)12(16)8-10-4-1-2-5-10/h10-11H,1-9H2,(H2,14,17)/t11-/m0/s1
InChIKeyYOMLTRIXQRINGI-NSHDSACASA-N
MW238.33 g/mol
LogP1.29
Rot. Bonds3

About (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide

(3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide (PubChem CID 95239038) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
PubChem CID95239038
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C13H22N2O2/c14-13(17)11-6-3-7-15(9-11)12(16)8-10-4-1-2-5-10/h10-11H,1-9H2,(H2,14,17)/t11-/m0/s1
InChIKeyYOMLTRIXQRINGI-NSHDSACASA-N
XLogP1.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide (CID 95239038) is (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)CC2CCCC2)C1.
What is the InChIKey of (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide?
The InChIKey is YOMLTRIXQRINGI-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O2/c14-13(17)11-6-3-7-15(9-11)12(16)8-10-4-1-2-5-10/h10-11H,1-9H2,(H2,14,17)/t11-/m0/s1.
What are the key properties of (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide?
(3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 95239038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).