1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide

C18H20FN3O3 — CID 24791327

IUPAC1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)on1
InChIInChI=1S/C18H20FN3O3/c1-12-8-15(25-21-12)9-20-18(24)14-6-7-17(23)22(11-14)10-13-4-2-3-5-16(13)19/h2-5,8,14H,6-7,9-11H2,1H3,(H,20,24)
InChIKeyKZCUQBIPWGOUAK-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.18
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24791327) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24791327
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)on1
InChIInChI=1S/C18H20FN3O3/c1-12-8-15(25-21-12)9-20-18(24)14-6-7-17(23)22(11-14)10-13-4-2-3-5-16(13)19/h2-5,8,14H,6-7,9-11H2,1H3,(H,20,24)
InChIKeyKZCUQBIPWGOUAK-UHFFFAOYSA-N
XLogP2.18
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-4H,5H,6H,7H-pyrido[4,3-c][1,2]oxazol-5-yl]butan-1-one
CID 23645931
N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 127040522
N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
CID 139209090
N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
CID 139209092
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 17174146
3-(2-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-1,2-oxazole-5-carboxamide
CID 17096081
5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)isoxazole-3-carboxamide
CID 3243233
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(3-methylisoxazol-5-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686326
(3S,6S)-6-(4-fluorophenyl)-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutyl-piperazin-2-one
CID 60141394
(3S,6S)-6-(2-fluorophenyl)-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutyl-piperazin-2-one
CID 60141396

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24791327) is 1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3F)C2)on1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is KZCUQBIPWGOUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-8-15(25-21-12)9-20-18(24)14-6-7-17(23)22(11-14)10-13-4-2-3-5-16(13)19/h2-5,8,14H,6-7,9-11H2,1H3,(H,20,24).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).