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

C22H25N3O3S — CID 42955485

IUPACN-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC2)c1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C22H25N3O3S/c26-20(17-7-4-12-25(15-17)22(28)19-9-5-13-29-19)23-18-8-3-6-16(14-18)21(27)24-10-1-2-11-24/h3,5-6,8-9,13-14,17H,1-2,4,7,10-12,15H2,(H,23,26)
InChIKeyYIXXXEFHFMEUAV-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.47
Rot. Bonds4

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

N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 42955485) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID42955485
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC2)c1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C22H25N3O3S/c26-20(17-7-4-12-25(15-17)22(28)19-9-5-13-29-19)23-18-8-3-6-16(14-18)21(27)24-10-1-2-11-24/h3,5-6,8-9,13-14,17H,1-2,4,7,10-12,15H2,(H,23,26)
InChIKeyYIXXXEFHFMEUAV-UHFFFAOYSA-N
XLogP3.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55751909
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119381021
N-[3-(1-methyltetrazol-5-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46422022
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
N-(4-fluoro-3-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134034204
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
(3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 51933370
N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558619

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 42955485) is N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is O=C(Nc1cccc(C(=O)N2CCCC2)c1)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is YIXXXEFHFMEUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c26-20(17-7-4-12-25(15-17)22(28)19-9-5-13-29-19)23-18-8-3-6-16(14-18)21(27)24-10-1-2-11-24/h3,5-6,8-9,13-14,17H,1-2,4,7,10-12,15H2,(H,23,26).
What are the key properties of N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42955485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).