N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C19H19N3O2S — CID 55558619

IUPACN-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESN#CCc1ccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1
InChIInChI=1S/C19H19N3O2S/c20-10-9-14-5-7-16(8-6-14)21-18(23)15-3-1-11-22(13-15)19(24)17-4-2-12-25-17/h2,4-8,12,15H,1,3,9,11,13H2,(H,21,23)
InChIKeyCKPLSASPCCWQOP-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.31
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 55558619) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID55558619
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESN#CCc1ccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1
InChIInChI=1S/C19H19N3O2S/c20-10-9-14-5-7-16(8-6-14)21-18(23)15-3-1-11-22(13-15)19(24)17-4-2-12-25-17/h2,4-8,12,15H,1,3,9,11,13H2,(H,21,23)
InChIKeyCKPLSASPCCWQOP-UHFFFAOYSA-N
XLogP3.31
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86963349
N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55751909
N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55429914
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557429
N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946763
N-[4-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560044
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46636011
N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559806

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 55558619) is N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is N#CCc1ccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is CKPLSASPCCWQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c20-10-9-14-5-7-16(8-6-14)21-18(23)15-3-1-11-22(13-15)19(24)17-4-2-12-25-17/h2,4-8,12,15H,1,3,9,11,13H2,(H,21,23).
What are the key properties of N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55558619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).