2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide

C15H19ClN2O3 — CID 108564395

IUPAC2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C15H19ClN2O3/c1-10(16)14(20)17-11-6-8-18(9-7-11)15(21)12-4-2-3-5-13(12)19/h2-5,10-11,19H,6-9H2,1H3,(H,17,20)
InChIKeyHHKUGNUSYIDGQR-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.74
Rot. Bonds3

About 2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide

2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide (PubChem CID 108564395) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide
PubChem CID108564395
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C15H19ClN2O3/c1-10(16)14(20)17-11-6-8-18(9-7-11)15(21)12-4-2-3-5-13(12)19/h2-5,10-11,19H,6-9H2,1H3,(H,17,20)
InChIKeyHHKUGNUSYIDGQR-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
CID 108564176
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558809
2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide
CID 108566670
1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95772650
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 108564353
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108566907
2-hydroxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 108551446
N-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
CID 94800761
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108567332
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide (CID 108564395) is 2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide is CC(Cl)C(=O)NC1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of 2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide?
The InChIKey is HHKUGNUSYIDGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10(16)14(20)17-11-6-8-18(9-7-11)15(21)12-4-2-3-5-13(12)19/h2-5,10-11,19H,6-9H2,1H3,(H,17,20).
What are the key properties of 2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide?
2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide has a molecular weight of 310.78 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108564395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).