N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide

C21H21ClN2O3 — CID 41308736

IUPACN-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
SMILESO=C(NCC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O3/c22-18-8-6-17(7-9-18)21(27)23-14-19(25)24-12-10-16(11-13-24)20(26)15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,23,27)
InChIKeyRHPOIYKCDAESBM-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.19
Rot. Bonds5

About N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide

N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide (PubChem CID 41308736) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
PubChem CID41308736
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
SMILESO=C(NCC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O3/c22-18-8-6-17(7-9-18)21(27)23-14-19(25)24-12-10-16(11-13-24)20(26)15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,23,27)
InChIKeyRHPOIYKCDAESBM-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462507
4-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 43391762
4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958174
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 26080655
N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25496758
1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 2740764
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
1-[2-[(4-phenylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 36929560
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119724483
1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55397777

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide (CID 41308736) is N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide is O=C(NCC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide?
The InChIKey is RHPOIYKCDAESBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c22-18-8-6-17(7-9-18)21(27)23-14-19(25)24-12-10-16(11-13-24)20(26)15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,23,27).
What are the key properties of N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide?
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide has a molecular weight of 384.86 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide is sourced from PubChem (CID 41308736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).