N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide

C18H21ClN2OS — CID 24793010

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H21ClN2OS/c1-13-8-10-23-17(13)18(22)20-16-3-2-9-21(12-16)11-14-4-6-15(19)7-5-14/h4-8,10,16H,2-3,9,11-12H2,1H3,(H,20,22)
InChIKeyQTJCBJBIQYQECX-UHFFFAOYSA-N
MW348.90 g/mol
LogP4.10
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide (PubChem CID 24793010) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide
PubChem CID24793010
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H21ClN2OS/c1-13-8-10-23-17(13)18(22)20-16-3-2-9-21(12-16)11-14-4-6-15(19)7-5-14/h4-8,10,16H,2-3,9,11-12H2,1H3,(H,20,22)
InChIKeyQTJCBJBIQYQECX-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
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Dipeptidyl nitrile inhibitor, 22
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N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
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CID 2532766
N-(4-chlorobenzyl)-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726749
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 4843549
3-[(4-chlorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
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2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
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N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide (CID 24793010) is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is QTJCBJBIQYQECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-13-8-10-23-17(13)18(22)20-16-3-2-9-21(12-16)11-14-4-6-15(19)7-5-14/h4-8,10,16H,2-3,9,11-12H2,1H3,(H,20,22).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 348.90 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 24793010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).