2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide

C21H20F2N4O2 — CID 166616220

IUPAC2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide
SMILESCc1nc(N2CC[C@@H](c3ccccc3)[C@H](NC(=O)c3ccc(F)cc3F)C2)no1
InChIInChI=1S/C21H20F2N4O2/c1-13-24-21(26-29-13)27-10-9-16(14-5-3-2-4-6-14)19(12-27)25-20(28)17-8-7-15(22)11-18(17)23/h2-8,11,16,19H,9-10,12H2,1H3,(H,25,28)/t16-,19+/m0/s1
InChIKeyKKXAIZWRKSWEKP-QFBILLFUSA-N
MW398.41 g/mol
LogP3.45
Rot. Bonds4

About 2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide

2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide (PubChem CID 166616220) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide
PubChem CID166616220
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide
SMILESCc1nc(N2CC[C@@H](c3ccccc3)[C@H](NC(=O)c3ccc(F)cc3F)C2)no1
InChIInChI=1S/C21H20F2N4O2/c1-13-24-21(26-29-13)27-10-9-16(14-5-3-2-4-6-14)19(12-27)25-20(28)17-8-7-15(22)11-18(17)23/h2-8,11,16,19H,9-10,12H2,1H3,(H,25,28)/t16-,19+/m0/s1
InChIKeyKKXAIZWRKSWEKP-QFBILLFUSA-N
XLogP3.45
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide (CID 166616220) is 2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide is Cc1nc(N2CC[C@@H](c3ccccc3)[C@H](NC(=O)c3ccc(F)cc3F)C2)no1.
What is the InChIKey of 2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide?
The InChIKey is KKXAIZWRKSWEKP-QFBILLFUSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-13-24-21(26-29-13)27-10-9-16(14-5-3-2-4-6-14)19(12-27)25-20(28)17-8-7-15(22)11-18(17)23/h2-8,11,16,19H,9-10,12H2,1H3,(H,25,28)/t16-,19+/m0/s1.
What are the key properties of 2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide?
2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide has a molecular weight of 398.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(3S,4S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenylpiperidin-3-yl]benzamide is sourced from PubChem (CID 166616220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).