5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide

C21H25ClN2O2 — CID 69404682

IUPAC5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide
SMILESCC(CNC(=O)c1cc(Cl)ccc1N1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C21H25ClN2O2/c1-15(16-5-8-18(25)9-6-16)14-23-21(26)19-13-17(22)7-10-20(19)24-11-3-2-4-12-24/h5-10,13,15,25H,2-4,11-12,14H2,1H3,(H,23,26)
InChIKeyOHLNERBWBXOQHB-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.57
Rot. Bonds5

About 5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide

5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide (PubChem CID 69404682) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide
PubChem CID69404682
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide
SMILESCC(CNC(=O)c1cc(Cl)ccc1N1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C21H25ClN2O2/c1-15(16-5-8-18(25)9-6-16)14-23-21(26)19-13-17(22)7-10-20(19)24-11-3-2-4-12-24/h5-10,13,15,25H,2-4,11-12,14H2,1H3,(H,23,26)
InChIKeyOHLNERBWBXOQHB-UHFFFAOYSA-N
XLogP4.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-nitro-N-(2-phenylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 55337765
2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride
CID 70532427
5-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031099
5-chloro-2-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 47308839
5-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 1063091
N-(2-hydroxypropyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 78800109
4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031098
2-(azetidin-1-yl)-5-chlorobenzoic acid
CID 127018592
methyl 4-[2-[[2-(azonan-1-yl)-5-chlorobenzoyl]amino]ethyl]-2-methoxybenzoate
CID 10838212
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756351
2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61139853
5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4012992

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide (CID 69404682) is 5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide is CC(CNC(=O)c1cc(Cl)ccc1N1CCCCC1)c1ccc(O)cc1.
What is the InChIKey of 5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide?
The InChIKey is OHLNERBWBXOQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15(16-5-8-18(25)9-6-16)14-23-21(26)19-13-17(22)7-10-20(19)24-11-3-2-4-12-24/h5-10,13,15,25H,2-4,11-12,14H2,1H3,(H,23,26).
What are the key properties of 5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide?
5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide has a molecular weight of 372.90 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-hydroxyphenyl)propyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 69404682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).