3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide

C21H23ClN2O3 — CID 55517345

IUPAC3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(C(O)c2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C21H23ClN2O3/c22-18-8-4-7-17(13-18)21(27)23-14-19(25)24-11-9-16(10-12-24)20(26)15-5-2-1-3-6-15/h1-8,13,16,20,26H,9-12,14H2,(H,23,27)
InChIKeyDTOPJIIQQJVMPD-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.04
Rot. Bonds5

About 3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide

3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 55517345) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID55517345
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(C(O)c2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C21H23ClN2O3/c22-18-8-4-7-17(13-18)21(27)23-14-19(25)24-11-9-16(10-12-24)20(26)15-5-2-1-3-6-15/h1-8,13,16,20,26H,9-12,14H2,(H,23,27)
InChIKeyDTOPJIIQQJVMPD-UHFFFAOYSA-N
XLogP3.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55397777
3-chloro-N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]benzamide
CID 35951576
3-chloro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]benzamide
CID 136523895
(2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 78920198
2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 55589570
1-[2-[(3-chlorobenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117429
3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 35814912
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736
3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 55395088
3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide
CID 38171192
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide (CID 55517345) is 3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCC(C(O)c2ccccc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is DTOPJIIQQJVMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-18-8-4-7-17(13-18)21(27)23-14-19(25)24-11-9-16(10-12-24)20(26)15-5-2-1-3-6-15/h1-8,13,16,20,26H,9-12,14H2,(H,23,27).
What are the key properties of 3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide?
3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 386.88 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 55517345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).