(3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide

C25H23FN4O3S — CID 51487040

IUPAC(3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESO=C1CCc2cc(-c3csc(NC(=O)[C@@H]4CCCN(C(=O)c5ccc(F)cc5)C4)n3)ccc2N1
InChIInChI=1S/C25H23FN4O3S/c26-19-7-3-15(4-8-19)24(33)30-11-1-2-18(13-30)23(32)29-25-28-21(14-34-25)17-5-9-20-16(12-17)6-10-22(31)27-20/h3-5,7-9,12,14,18H,1-2,6,10-11,13H2,(H,27,31)(H,28,29,32)/t18-/m1/s1
InChIKeyGJAJRTDYZSAKSV-GOSISDBHSA-N
MW478.55 g/mol
LogP4.32
Rot. Bonds4

About (3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide

(3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (PubChem CID 51487040) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is (3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
PubChem CID51487040
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC Name(3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESO=C1CCc2cc(-c3csc(NC(=O)[C@@H]4CCCN(C(=O)c5ccc(F)cc5)C4)n3)ccc2N1
InChIInChI=1S/C25H23FN4O3S/c26-19-7-3-15(4-8-19)24(33)30-11-1-2-18(13-30)23(32)29-25-28-21(14-34-25)17-5-9-20-16(12-17)6-10-22(31)27-20/h3-5,7-9,12,14,18H,1-2,6,10-11,13H2,(H,27,31)(H,28,29,32)/t18-/m1/s1
InChIKeyGJAJRTDYZSAKSV-GOSISDBHSA-N
XLogP4.32
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41169360
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 60529706
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24534942
(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 40792019
(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 29370440
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 46411411
4-bromo-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 135221798
N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 166220457
6-(3-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103605924
N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 122589321
(3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 27282898

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (CID 51487040) is (3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is O=C1CCc2cc(-c3csc(NC(=O)[C@@H]4CCCN(C(=O)c5ccc(F)cc5)C4)n3)ccc2N1.
What is the InChIKey of (3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is GJAJRTDYZSAKSV-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c26-19-7-3-15(4-8-19)24(33)30-11-1-2-18(13-30)23(32)29-25-28-21(14-34-25)17-5-9-20-16(12-17)6-10-22(31)27-20/h3-5,7-9,12,14,18H,1-2,6,10-11,13H2,(H,27,31)(H,28,29,32)/t18-/m1/s1.
What are the key properties of (3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
(3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorobenzoyl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 51487040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).