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

C14H18ClN3O2 — CID 108563311

IUPAC2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-10(15)13(19)17-12-4-7-18(8-5-12)14(20)11-3-2-6-16-9-11/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,17,19)
InChIKeyXXDXSYUIQVTGGF-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.43
Rot. Bonds3

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

2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide (PubChem CID 108563311) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
PubChem CID108563311
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-10(15)13(19)17-12-4-7-18(8-5-12)14(20)11-3-2-6-16-9-11/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,17,19)
InChIKeyXXDXSYUIQVTGGF-UHFFFAOYSA-N
XLogP1.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.43
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-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108549584
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821121
2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108566907
2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108924891
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
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
CID 108564176
2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide
CID 108564395
(E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
CID 108924939

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide (CID 108563311) is 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide is CC(Cl)C(=O)NC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is XXDXSYUIQVTGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-10(15)13(19)17-12-4-7-18(8-5-12)14(20)11-3-2-6-16-9-11/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide?
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 295.77 g/mol, XLogP of 1.43, 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]propanamide is sourced from PubChem (CID 108563311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).