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

C23H22FN3O3 — CID 26334195

IUPAC(3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)no1
InChIInChI=1S/C23H22FN3O3/c1-15-12-21(26-30-15)23(29)27-11-3-5-18(14-27)22(28)25-20-9-7-16(8-10-20)17-4-2-6-19(24)13-17/h2,4,6-10,12-13,18H,3,5,11,14H2,1H3,(H,25,28)/t18-/m0/s1
InChIKeyVAMSBSGKQQIXNE-SFHVURJKSA-N
MW407.45 g/mol
LogP4.28
Rot. Bonds4

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

(3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide (PubChem CID 26334195) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
PubChem CID26334195
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name(3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)no1
InChIInChI=1S/C23H22FN3O3/c1-15-12-21(26-30-15)23(29)27-11-3-5-18(14-27)22(28)25-20-9-7-16(8-10-20)17-4-2-6-19(24)13-17/h2,4,6-10,12-13,18H,3,5,11,14H2,1H3,(H,25,28)/t18-/m0/s1
InChIKeyVAMSBSGKQQIXNE-SFHVURJKSA-N
XLogP4.28
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-fluorophenyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 45208634
N-[4-(3-fluorophenyl)phenyl]-1-(2-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 56700889
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058
N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
CID 45212597
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxamide
CID 25451663
N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 45220000
[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45209504
methyl 4-[(3S)-3-[[4-(3-fluorophenyl)phenyl]carbamoyl]piperidin-1-yl]-4-oxobutanoate
CID 26327809
(3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 42522383
N-(4-anilinophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511611
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 83286879

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide (CID 26334195) is (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide is Cc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)no1.
What is the InChIKey of (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is VAMSBSGKQQIXNE-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-15-12-21(26-30-15)23(29)27-11-3-5-18(14-27)22(28)25-20-9-7-16(8-10-20)17-4-2-6-19(24)13-17/h2,4,6-10,12-13,18H,3,5,11,14H2,1H3,(H,25,28)/t18-/m0/s1.
What are the key properties of (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?
(3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 26334195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).