2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide

C13H16ClN3O2 — CID 108563315

IUPAC2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CCl)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C13H16ClN3O2/c14-8-12(18)16-11-3-6-17(7-4-11)13(19)10-2-1-5-15-9-10/h1-2,5,9,11H,3-4,6-8H2,(H,16,18)
InChIKeyQCSWICMEROWMSP-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.04
Rot. Bonds3

About 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide

2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 108563315) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID108563315
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CCl)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C13H16ClN3O2/c14-8-12(18)16-11-3-6-17(7-4-11)13(19)10-2-1-5-15-9-10/h1-2,5,9,11H,3-4,6-8H2,(H,16,18)
InChIKeyQCSWICMEROWMSP-UHFFFAOYSA-N
XLogP1.04
TPSA62.30 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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108924891
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108551944
1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821121
2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108549584
2,6-dimethoxy-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 108549740
1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821123
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566071
2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108557029
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide
CID 108564071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide (CID 108563315) is 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide is O=C(CCl)NC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is QCSWICMEROWMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-8-12(18)16-11-3-6-17(7-4-11)13(19)10-2-1-5-15-9-10/h1-2,5,9,11H,3-4,6-8H2,(H,16,18).
What are the key properties of 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 281.74 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108563315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).