1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

C24H25N3O2S — CID 70757490

IUPAC1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCC(=O)c1cccc(CN2CCCC(C(=O)Nc3ccc(-c4cscn4)cc3)C2)c1
InChIInChI=1S/C24H25N3O2S/c1-17(28)20-5-2-4-18(12-20)13-27-11-3-6-21(14-27)24(29)26-22-9-7-19(8-10-22)23-15-30-16-25-23/h2,4-5,7-10,12,15-16,21H,3,6,11,13-14H2,1H3,(H,26,29)
InChIKeyHDDMQCPAMIDLTR-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.86
Rot. Bonds6

About 1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (PubChem CID 70757490) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
PubChem CID70757490
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCC(=O)c1cccc(CN2CCCC(C(=O)Nc3ccc(-c4cscn4)cc3)C2)c1
InChIInChI=1S/C24H25N3O2S/c1-17(28)20-5-2-4-18(12-20)13-27-11-3-6-21(14-27)24(29)26-22-9-7-19(8-10-22)23-15-30-16-25-23/h2,4-5,7-10,12,15-16,21H,3,6,11,13-14H2,1H3,(H,26,29)
InChIKeyHDDMQCPAMIDLTR-UHFFFAOYSA-N
XLogP4.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]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

(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 26315659
(3S)-1-[(3-methoxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 42213030
1-[(3-methoxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 24792091
N-[4-(1,3-thiazol-4-yl)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 162655576
1-[(2-fluorophenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 162666279
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 45211803
1-(3-methylsulfanylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 45220934
1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 72881399
(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 97275488
(2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461535
(2S)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461531
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084

Frequently Asked Questions

What is the IUPAC name of 1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (CID 70757490) is 1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is CC(=O)c1cccc(CN2CCCC(C(=O)Nc3ccc(-c4cscn4)cc3)C2)c1.
What is the InChIKey of 1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is HDDMQCPAMIDLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-17(28)20-5-2-4-18(12-20)13-27-11-3-6-21(14-27)24(29)26-22-9-7-19(8-10-22)23-15-30-16-25-23/h2,4-5,7-10,12,15-16,21H,3,6,11,13-14H2,1H3,(H,26,29).
What are the key properties of 1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 70757490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).