2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide

C13H16ClN3O2 — CID 47290627

IUPAC2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C13H16ClN3O2/c14-11-2-1-10(8-16-11)13(19)17-5-3-9(4-6-17)7-12(15)18/h1-2,8-9H,3-7H2,(H2,15,18)
InChIKeyPZJFQADAONCJMK-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.46
Rot. Bonds3

About 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide

2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 47290627) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID47290627
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C13H16ClN3O2/c14-11-2-1-10(8-16-11)13(19)17-5-3-9(4-6-17)7-12(15)18/h1-2,8-9H,3-7H2,(H2,15,18)
InChIKeyPZJFQADAONCJMK-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
2-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]acetamide
CID 48677877
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 54989392
2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide
CID 54949208
(6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150688
(6-chloro-3-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61045525
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63869549
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
(6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone
CID 162440321
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
(6-chloro-3-pyridinyl)-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methanone
CID 134062230

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide (CID 47290627) is 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(C(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is PZJFQADAONCJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-11-2-1-10(8-16-11)13(19)17-5-3-9(4-6-17)7-12(15)18/h1-2,8-9H,3-7H2,(H2,15,18).
What are the key properties of 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide?
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 281.74 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 47290627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).