N-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide

C20H22FN3O3 — CID 86776948

IUPACN-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
SMILESCc1oncc1C(=O)N1CCC(C(=O)NC2CC2c2cccc(F)c2)CC1
InChIInChI=1S/C20H22FN3O3/c1-12-17(11-22-27-12)20(26)24-7-5-13(6-8-24)19(25)23-18-10-16(18)14-3-2-4-15(21)9-14/h2-4,9,11,13,16,18H,5-8,10H2,1H3,(H,23,25)
InChIKeyATZOURCIYMGNND-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.65
Rot. Bonds4

About N-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide

N-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 86776948) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID86776948
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
SMILESCc1oncc1C(=O)N1CCC(C(=O)NC2CC2c2cccc(F)c2)CC1
InChIInChI=1S/C20H22FN3O3/c1-12-17(11-22-27-12)20(26)24-7-5-13(6-8-24)19(25)23-18-10-16(18)14-3-2-4-15(21)9-14/h2-4,9,11,13,16,18H,5-8,10H2,1H3,(H,23,25)
InChIKeyATZOURCIYMGNND-UHFFFAOYSA-N
XLogP2.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 95179508
1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide
CID 95588991
cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124779019
methyl 5-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate
CID 39103554
1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine
CID 122082343
1-[[2-(3-fluorophenyl)cyclopropyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123706
(3R)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 129422396
(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121184594
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide
CID 126785554
N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 802933
(3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide
CID 129425298
(2R)-2-amino-N-[2-(3-fluorophenyl)cyclopropyl]propanamide
CID 119305805

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide (CID 86776948) is N-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide is Cc1oncc1C(=O)N1CCC(C(=O)NC2CC2c2cccc(F)c2)CC1.
What is the InChIKey of N-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is ATZOURCIYMGNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-12-17(11-22-27-12)20(26)24-7-5-13(6-8-24)19(25)23-18-10-16(18)14-3-2-4-15(21)9-14/h2-4,9,11,13,16,18H,5-8,10H2,1H3,(H,23,25).
What are the key properties of N-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide?
N-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)cyclopropyl]-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 86776948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).