N-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide

C22H29FN4O2 — CID 43931839

IUPACN-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1)C1CCCCC1
InChIInChI=1S/C22H29FN4O2/c1-26(19-7-3-2-4-8-19)22(28)17-6-5-13-27(14-17)15-20-24-21(25-29-20)16-9-11-18(23)12-10-16/h9-12,17,19H,2-8,13-15H2,1H3
InChIKeyFJYJHBICVJGDAV-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.88
Rot. Bonds5

About N-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide

N-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 43931839) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is N-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
PubChem CID43931839
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC NameN-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1)C1CCCCC1
InChIInChI=1S/C22H29FN4O2/c1-26(19-7-3-2-4-8-19)22(28)17-6-5-13-27(14-17)15-20-24-21(25-29-20)16-9-11-18(23)12-10-16/h9-12,17,19H,2-8,13-15H2,1H3
InChIKeyFJYJHBICVJGDAV-UHFFFAOYSA-N
XLogP3.88
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 43931674
N-[3-(dimethylamino)propyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931739
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 43931800
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanone
CID 43930403
N-(4-fluorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930801
(3S)-N,N-diethyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 42245790
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 43930303
N-[(4-methoxyphenyl)methyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 43930943
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenylethyl)piperidine-3-carboxamide
CID 43931523
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43931688
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-3-carboxamide
CID 43930983
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-3-carboxamide
CID 43932200

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide (CID 43931839) is N-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide is CN(C(=O)C1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is FJYJHBICVJGDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-26(19-7-3-2-4-8-19)22(28)17-6-5-13-27(14-17)15-20-24-21(25-29-20)16-9-11-18(23)12-10-16/h9-12,17,19H,2-8,13-15H2,1H3.
What are the key properties of N-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide?
N-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 43931839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).