(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C18H19FN4O3S — CID 40792019

IUPAC(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C18H19FN4O3S/c19-13-5-3-11(4-6-13)17(26)23-7-1-2-12(9-23)16(25)22-18-21-14(10-27-18)8-15(20)24/h3-6,10,12H,1-2,7-9H2,(H2,20,24)(H,21,22,25)/t12-/m1/s1
InChIKeyQCZYQBDIECVJML-GFCCVEGCSA-N
MW390.44 g/mol
LogP1.80
Rot. Bonds5

About (3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 40792019) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is (3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID40792019
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C18H19FN4O3S/c19-13-5-3-11(4-6-13)17(26)23-7-1-2-12(9-23)16(25)22-18-21-14(10-27-18)8-15(20)24/h3-6,10,12H,1-2,7-9H2,(H2,20,24)(H,21,22,25)/t12-/m1/s1
InChIKeyQCZYQBDIECVJML-GFCCVEGCSA-N
XLogP1.80
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)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

(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 29370440
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(3,4-difluorobenzoyl)azetidine-3-carboxamide
CID 90513859
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18275497
1-(4-fluorobenzoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 18103517
1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 24586666
1-[2-(4-fluorophenyl)acetyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 55757623
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24534942
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
2-[[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244732
(3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide
CID 97262656

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 40792019) is (3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is NC(=O)Cc1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1.
What is the InChIKey of (3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is QCZYQBDIECVJML-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c19-13-5-3-11(4-6-13)17(26)23-7-1-2-12(9-23)16(25)22-18-21-14(10-27-18)8-15(20)24/h3-6,10,12H,1-2,7-9H2,(H2,20,24)(H,21,22,25)/t12-/m1/s1.
What are the key properties of (3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 40792019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).