N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide

C21H21FN4O2 — CID 53070417

IUPACN-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCCN(c2nc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C21H21FN4O2/c22-16-7-3-5-14(11-16)12-23-20(27)15-6-4-10-26(13-15)19-21(28)25-18-9-2-1-8-17(18)24-19/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,23,27)(H,25,28)
InChIKeyRRRGXCAEQSMMRP-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.60
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide

N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 53070417) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID53070417
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCCN(c2nc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C21H21FN4O2/c22-16-7-3-5-14(11-16)12-23-20(27)15-6-4-10-26(13-15)19-21(28)25-18-9-2-1-8-17(18)24-19/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,23,27)(H,25,28)
InChIKeyRRRGXCAEQSMMRP-UHFFFAOYSA-N
XLogP2.60
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(4-ethoxyphenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 30453509
(3S)-1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95068930
N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522906
(3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92876558
N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070379
(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 92876810
N-(2-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070397
N-[(3-fluorophenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53210372
(3R)-N-(3-chloro-4-methylphenyl)-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 30447165
(3R)-1-(1H-benzimidazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876760
(3R)-N-[(3-fluorophenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866611
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide (CID 53070417) is N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide is O=C(NCc1cccc(F)c1)C1CCCN(c2nc3ccccc3[nH]c2=O)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is RRRGXCAEQSMMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-16-7-3-5-14(11-16)12-23-20(27)15-6-4-10-26(13-15)19-21(28)25-18-9-2-1-8-17(18)24-19/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,23,27)(H,25,28).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53070417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).