N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C28H28N4O2S — CID 46557063

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C28H28N4O2S/c1-30(27(33)22-12-8-16-31(19-22)28(34)25-15-9-17-35-25)18-23-20-32(24-13-6-3-7-14-24)29-26(23)21-10-4-2-5-11-21/h2-7,9-11,13-15,17,20,22H,8,12,16,18-19H2,1H3
InChIKeyKDVWUXJXIIGNFW-UHFFFAOYSA-N
MW484.63 g/mol
LogP5.11
Rot. Bonds6

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 46557063) has the molecular formula C28H28N4O2S and a molecular weight of 484.63 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID46557063
Molecular FormulaC28H28N4O2S
Molecular Weight484.63 g/mol
Exact Mass484.19
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C28H28N4O2S/c1-30(27(33)22-12-8-16-31(19-22)28(34)25-15-9-17-35-25)18-23-20-32(24-13-6-3-7-14-24)29-26(23)21-10-4-2-5-11-21/h2-7,9-11,13-15,17,20,22H,8,12,16,18-19H2,1H3
InChIKeyKDVWUXJXIIGNFW-UHFFFAOYSA-N
XLogP5.11
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.63
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558627
N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053389
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002801
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053277
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17475464
N-cyclopentyl-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134061108
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55488781
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41249351
(3S)-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 119113520
N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947669

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 46557063) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is KDVWUXJXIIGNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2S/c1-30(27(33)22-12-8-16-31(19-22)28(34)25-15-9-17-35-25)18-23-20-32(24-13-6-3-7-14-24)29-26(23)21-10-4-2-5-11-21/h2-7,9-11,13-15,17,20,22H,8,12,16,18-19H2,1H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 484.63 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46557063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).