3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide

C23H23ClN2OS — CID 134797827

IUPAC3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2cccc(-c3cccs3)c2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C23H23ClN2OS/c24-20-7-2-6-19(15-20)23(27)25-21-9-11-26(12-10-21)16-17-4-1-5-18(14-17)22-8-3-13-28-22/h1-8,13-15,21H,9-12,16H2,(H,25,27)
InChIKeyFPEFZMHNGFDHBM-UHFFFAOYSA-N
MW410.97 g/mol
LogP5.46
Rot. Bonds5

About 3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide

3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 134797827) has the molecular formula C23H23ClN2OS and a molecular weight of 410.97 g/mol. Its IUPAC name is 3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID134797827
Molecular FormulaC23H23ClN2OS
Molecular Weight410.97 g/mol
Exact Mass410.12
IUPAC Name3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2cccc(-c3cccs3)c2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C23H23ClN2OS/c24-20-7-2-6-19(15-20)23(27)25-21-9-11-26(12-10-21)16-17-4-1-5-18(14-17)22-8-3-13-28-22/h1-8,13-15,21H,9-12,16H2,(H,25,27)
InChIKeyFPEFZMHNGFDHBM-UHFFFAOYSA-N
XLogP5.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.97
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-3-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]urea
CID 134803994
N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
CID 117088807
3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45255793
N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548585
N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 27673293
N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide
CID 53023077
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831791
3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
CID 119883504
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide (CID 134797827) is 3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2cccc(-c3cccs3)c2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is FPEFZMHNGFDHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2OS/c24-20-7-2-6-19(15-20)23(27)25-21-9-11-26(12-10-21)16-17-4-1-5-18(14-17)22-8-3-13-28-22/h1-8,13-15,21H,9-12,16H2,(H,25,27).
What are the key properties of 3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide?
3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 410.97 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 134797827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).