N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide

C20H23ClN2O — CID 21413251

IUPACN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCc2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H23ClN2O/c21-18-8-6-16(7-9-18)10-13-23-14-11-19(12-15-23)22-20(24)17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,22,24)
InChIKeyKAGGLPVNCFCHGG-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.78
Rot. Bonds5

About N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide

N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide (PubChem CID 21413251) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
PubChem CID21413251
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCc2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H23ClN2O/c21-18-8-6-16(7-9-18)10-13-23-14-11-19(12-15-23)22-20(24)17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,22,24)
InChIKeyKAGGLPVNCFCHGG-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide
CID 21413261
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide
CID 21430607
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide
CID 33104635
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
CID 112822743
carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide
CID 22362372

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide (CID 21413251) is N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide is O=C(NC1CCN(CCc2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide?
The InChIKey is KAGGLPVNCFCHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c21-18-8-6-16(7-9-18)10-13-23-14-11-19(12-15-23)22-20(24)17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,22,24).
What are the key properties of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide?
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide has a molecular weight of 342.87 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 21413251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).