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

C22H24N4O2S — CID 55558627

IUPACN-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C22H24N4O2S/c1-24(14-17-13-23-26(15-17)19-8-3-2-4-9-19)21(27)18-7-5-11-25(16-18)22(28)20-10-6-12-29-20/h2-4,6,8-10,12-13,15,18H,5,7,11,14,16H2,1H3
InChIKeyUNFYCFVNXMMRCJ-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.44
Rot. Bonds5

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

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 55558627) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID55558627
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C22H24N4O2S/c1-24(14-17-13-23-26(15-17)19-8-3-2-4-9-19)21(27)18-7-5-11-25(16-18)22(28)20-10-6-12-29-20/h2-4,6,8-10,12-13,15,18H,5,7,11,14,16H2,1H3
InChIKeyUNFYCFVNXMMRCJ-UHFFFAOYSA-N
XLogP3.44
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557063
(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8962325
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-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209
2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 18152355
N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947669
N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 30039620
(3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 42565397
N-cyclopentyl-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134061108
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053277
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 55558627) is N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is UNFYCFVNXMMRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-24(14-17-13-23-26(15-17)19-8-3-2-4-9-19)21(27)18-7-5-11-25(16-18)22(28)20-10-6-12-29-20/h2-4,6,8-10,12-13,15,18H,5,7,11,14,16H2,1H3.
What are the key properties of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55558627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).