N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

C24H25FN4O3 — CID 154833851

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NCC1COc2ccccc2C1)N1CCCC(c2nc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C24H25FN4O3/c25-20-8-3-6-18(12-20)22-27-23(32-28-22)19-7-4-10-29(14-19)24(30)26-13-16-11-17-5-1-2-9-21(17)31-15-16/h1-3,5-6,8-9,12,16,19H,4,7,10-11,13-15H2,(H,26,30)
InChIKeyWKFFNWLGYWJOGH-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.02
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 154833851) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID154833851
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NCC1COc2ccccc2C1)N1CCCC(c2nc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C24H25FN4O3/c25-20-8-3-6-18(12-20)22-27-23(32-28-22)19-7-4-10-29(14-19)24(30)26-13-16-11-17-5-1-2-9-21(17)31-15-16/h1-3,5-6,8-9,12,16,19H,4,7,10-11,13-15H2,(H,26,30)
InChIKeyWKFFNWLGYWJOGH-UHFFFAOYSA-N
XLogP4.02
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 95283267
tert-butyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 66618671
1-[(3S)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 95161118
2-ethyl-1-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 52839769
2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride
CID 119921304
3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 97082956
N-carbamoyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 51105643
(3S)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 52909463
N-(3-fluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3226032
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 42760899
(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 7219016
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide
CID 94513083

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 154833851) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is O=C(NCC1COc2ccccc2C1)N1CCCC(c2nc(-c3cccc(F)c3)no2)C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is WKFFNWLGYWJOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c25-20-8-3-6-18(12-20)22-27-23(32-28-22)19-7-4-10-29(14-19)24(30)26-13-16-11-17-5-1-2-9-21(17)31-15-16/h1-3,5-6,8-9,12,16,19H,4,7,10-11,13-15H2,(H,26,30).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 154833851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).