(3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide

C13H16ClN3O2 — CID 172908612

IUPAC(3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Cc2cccnc2Cl)C1
InChIInChI=1S/C13H16ClN3O2/c14-12-9(3-1-5-16-12)7-11(18)17-6-2-4-10(8-17)13(15)19/h1,3,5,10H,2,4,6-8H2,(H2,15,19)/t10-/m0/s1
InChIKeyMVRLSGDTKPBMCQ-JTQLQIEISA-N
MW281.74 g/mol
LogP1.00
Rot. Bonds3

About (3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide

(3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide (PubChem CID 172908612) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is (3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide
PubChem CID172908612
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name(3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)Cc2cccnc2Cl)C1
InChIInChI=1S/C13H16ClN3O2/c14-12-9(3-1-5-16-12)7-11(18)17-6-2-4-10(8-17)13(15)19/h1,3,5,10H,2,4,6-8H2,(H2,15,19)/t10-/m0/s1
InChIKeyMVRLSGDTKPBMCQ-JTQLQIEISA-N
XLogP1.00
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[2-(3-bromo-2-chloro-4-pyridinyl)acetyl]piperidine-3-carboxamide
CID 172675086
(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
CID 172675194
(3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide
CID 172908629
(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
CID 94164959
methyl 2-[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl]benzoate
CID 97254802
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
CID 172675142
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
1-[2-(3-methyl-2-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 107147077
(3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
CID 95293794
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide (CID 172908612) is (3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)Cc2cccnc2Cl)C1.
What is the InChIKey of (3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide?
The InChIKey is MVRLSGDTKPBMCQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-12-9(3-1-5-16-12)7-11(18)17-6-2-4-10(8-17)13(15)19/h1,3,5,10H,2,4,6-8H2,(H2,15,19)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide?
(3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 172908612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).