1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

C24H25ClN4O2S — CID 118521859

IUPAC1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(C(=O)NCc3nccs3)CC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN4O2S/c25-20-6-4-18(5-7-20)24(31)28-21-3-1-2-17(14-21)16-29-11-8-19(9-12-29)23(30)27-15-22-26-10-13-32-22/h1-7,10,13-14,19H,8-9,11-12,15-16H2,(H,27,30)(H,28,31)
InChIKeyHNDWQWBBDFRSMS-UHFFFAOYSA-N
MW469.01 g/mol
LogP4.58
Rot. Bonds7

About 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 118521859) has the molecular formula C24H25ClN4O2S and a molecular weight of 469.01 g/mol. Its IUPAC name is 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
PubChem CID118521859
Molecular FormulaC24H25ClN4O2S
Molecular Weight469.01 g/mol
Exact Mass468.14
IUPAC Name1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(C(=O)NCc3nccs3)CC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN4O2S/c25-20-6-4-18(5-7-20)24(31)28-21-3-1-2-17(14-21)16-29-11-8-19(9-12-29)23(30)27-15-22-26-10-13-32-22/h1-7,10,13-14,19H,8-9,11-12,15-16H2,(H,27,30)(H,28,31)
InChIKeyHNDWQWBBDFRSMS-UHFFFAOYSA-N
XLogP4.58
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.01
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

(3,4-Dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10743303
(3,4-Dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10813865
(2,3-Dichlorophenyl)(4-(3-(thiazol-2-ylamino)benzyl)piperazin-1-yl)methanone
CID 53320716
2-Chloro-5-[(3-chlorobenzoyl)amino]-n-1,3-thiazol-5-ylbenzamide
CID 23630121
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-1,3-thiazol-5-ylbenzamide
CID 23630122
2-Chloro-5-(3-chloro-benzoylamino)-N-(2-methyl-thiazol-5-yl)-benzamide
CID 23630125
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 23630126
2-Chloro-N-(2-methyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 23630127
5-(3-Chloro-benzoylamino)-2-methyl-N-(2-methyl-thiazol-5-yl)-benzamide
CID 23630167
1-[3-(4-Chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653972
N-benzyl-3-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]benzamide
CID 137639895
N-benzyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylamino]benzamide
CID 137659805

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (CID 118521859) is 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is O=C(Nc1cccc(CN2CCC(C(=O)NCc3nccs3)CC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HNDWQWBBDFRSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2S/c25-20-6-4-18(5-7-20)24(31)28-21-3-1-2-17(14-21)16-29-11-8-19(9-12-29)23(30)27-15-22-26-10-13-32-22/h1-7,10,13-14,19H,8-9,11-12,15-16H2,(H,27,30)(H,28,31).
What are the key properties of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 469.01 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 118521859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).