N-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide

C17H19ClN2OS — CID 71786940

IUPACN-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C17H19ClN2OS/c18-15-5-3-13(4-6-15)12-19-17(21)20-9-7-14(8-10-20)16-2-1-11-22-16/h1-6,11,14H,7-10,12H2,(H,19,21)
InChIKeyQUDVFSPHUAANSY-UHFFFAOYSA-N
MW334.87 g/mol
LogP4.49
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide

N-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide (PubChem CID 71786940) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide
PubChem CID71786940
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC NameN-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C17H19ClN2OS/c18-15-5-3-13(4-6-15)12-19-17(21)20-9-7-14(8-10-20)16-2-1-11-22-16/h1-6,11,14H,7-10,12H2,(H,19,21)
InChIKeyQUDVFSPHUAANSY-UHFFFAOYSA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide (CID 71786940) is N-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1)N1CCC(c2cccs2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide?
The InChIKey is QUDVFSPHUAANSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c18-15-5-3-13(4-6-15)12-19-17(21)20-9-7-14(8-10-20)16-2-1-11-22-16/h1-6,11,14H,7-10,12H2,(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide has a molecular weight of 334.87 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-thiophen-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71786940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).