N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide

C13H16ClN3O2 — CID 62234754

IUPACN-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2cccc(Cl)n2)C1
InChIInChI=1S/C13H16ClN3O2/c1-9(18)15-10-4-3-7-17(8-10)13(19)11-5-2-6-12(14)16-11/h2,5-6,10H,3-4,7-8H2,1H3,(H,15,18)
InChIKeyVBLBLAJDNWVYDP-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.48
Rot. Bonds2

About N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide

N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide (PubChem CID 62234754) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
PubChem CID62234754
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2cccc(Cl)n2)C1
InChIInChI=1S/C13H16ClN3O2/c1-9(18)15-10-4-3-7-17(8-10)13(19)11-5-2-6-12(14)16-11/h2,5-6,10H,3-4,7-8H2,1H3,(H,15,18)
InChIKeyVBLBLAJDNWVYDP-UHFFFAOYSA-N
XLogP1.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.48
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

N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide
CID 61051093
2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690770
(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 62233136
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide
CID 99933106
N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
CID 126424676
N-[1-(2-amino-3-methylbenzoyl)piperidin-3-yl]acetamide
CID 61109681
(6-chloro-2-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112624904
2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616081
N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide
CID 105380881
N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide
CID 94801589
(6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone
CID 112695912

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide (CID 62234754) is N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)c2cccc(Cl)n2)C1.
What is the InChIKey of N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is VBLBLAJDNWVYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-9(18)15-10-4-3-7-17(8-10)13(19)11-5-2-6-12(14)16-11/h2,5-6,10H,3-4,7-8H2,1H3,(H,15,18).
What are the key properties of N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide?
N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 281.74 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 62234754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).