2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide

C15H19ClN2O3 — CID 110878743

IUPAC2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)N1CCC(O)CC1
InChIInChI=1S/C15H19ClN2O3/c1-10(15(21)18-8-6-11(19)7-9-18)17-14(20)12-4-2-3-5-13(12)16/h2-5,10-11,19H,6-9H2,1H3,(H,17,20)
InChIKeyJLNYOHSSTFUNJE-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.44
Rot. Bonds3

About 2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide

2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide (PubChem CID 110878743) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide
PubChem CID110878743
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)N1CCC(O)CC1
InChIInChI=1S/C15H19ClN2O3/c1-10(15(21)18-8-6-11(19)7-9-18)17-14(20)12-4-2-3-5-13(12)16/h2-5,10-11,19H,6-9H2,1H3,(H,17,20)
InChIKeyJLNYOHSSTFUNJE-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 24571458
1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55653577
N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66291291
2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 9254602
2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55838422
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119412842
2-chloro-N-[(2S)-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 24575260
methyl (2S)-2-[4-[(2S)-2-[(2-chlorobenzoyl)amino]propanoyl]piperazin-1-yl]-2-(2-chlorophenyl)acetate
CID 31882195
1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349897
2-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 61041045
3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 113246489
2-chloro-N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 119544388

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide (CID 110878743) is 2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1Cl)C(=O)N1CCC(O)CC1.
What is the InChIKey of 2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide?
The InChIKey is JLNYOHSSTFUNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10(15(21)18-8-6-11(19)7-9-18)17-14(20)12-4-2-3-5-13(12)16/h2-5,10-11,19H,6-9H2,1H3,(H,17,20).
What are the key properties of 2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide?
2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide has a molecular weight of 310.78 g/mol, XLogP of 1.44, 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-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 110878743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).