4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide

C18H21ClN2OS — CID 34949920

IUPAC4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@H](c1cccs1)N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2OS/c19-15-8-6-14(7-9-15)18(22)20-13-16(17-5-4-12-23-17)21-10-2-1-3-11-21/h4-9,12,16H,1-3,10-11,13H2,(H,20,22)/t16-/m1/s1
InChIKeyCGTSTEFHIIJTKD-MRXNPFEDSA-N
MW348.90 g/mol
LogP4.36
Rot. Bonds5

About 4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide

4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide (PubChem CID 34949920) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
PubChem CID34949920
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@H](c1cccs1)N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2OS/c19-15-8-6-14(7-9-15)18(22)20-13-16(17-5-4-12-23-17)21-10-2-1-3-11-21/h4-9,12,16H,1-3,10-11,13H2,(H,20,22)/t16-/m1/s1
InChIKeyCGTSTEFHIIJTKD-MRXNPFEDSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-chlorobenzamide;hydrochloride
CID 52984491
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride
CID 52984653
4-bromo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012026
3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34951917
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-tert-butylbenzamide;hydrochloride
CID 52984647
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 52984654
4-chloro-N-[1-oxo-1-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]propan-2-yl]benzamide
CID 112765121
4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 42917071
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide (CID 34949920) is 4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide is O=C(NC[C@H](c1cccs1)N1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is CGTSTEFHIIJTKD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c19-15-8-6-14(7-9-15)18(22)20-13-16(17-5-4-12-23-17)21-10-2-1-3-11-21/h4-9,12,16H,1-3,10-11,13H2,(H,20,22)/t16-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 348.90 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 34949920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).