N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

C22H21N5O3 — CID 4264273

IUPACN-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2noc(C3CCCCN3C(=O)Nc3cccc(C#N)c3)n2)c1
InChIInChI=1S/C22H21N5O3/c1-29-18-9-5-7-16(13-18)20-25-21(30-26-20)19-10-2-3-11-27(19)22(28)24-17-8-4-6-15(12-17)14-23/h4-9,12-13,19H,2-3,10-11H2,1H3,(H,24,28)
InChIKeyUIIMLNPGXJGUAL-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.38
Rot. Bonds4

About N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 4264273) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID4264273
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2noc(C3CCCCN3C(=O)Nc3cccc(C#N)c3)n2)c1
InChIInChI=1S/C22H21N5O3/c1-29-18-9-5-7-16(13-18)20-25-21(30-26-20)19-10-2-3-11-27(19)22(28)24-17-8-4-6-15(12-17)14-23/h4-9,12-13,19H,2-3,10-11H2,1H3,(H,24,28)
InChIKeyUIIMLNPGXJGUAL-UHFFFAOYSA-N
XLogP4.38
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Methoxyphenyl)-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 1086608
1-{[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-phenylpiperazine
CID 2215139
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 3225914
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 3226073
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3236100
N~2~-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N~2~-methyl-N~1~-[3-(trifluoromethyl)phenyl]glycinamide
CID 3238096
N-(2-methoxy-5-methylphenyl)-4-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 16031500
1-{[3-(3-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methoxyphenyl)-2-methylpiperazine
CID 16188762
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16193509
1-[4-(2,5-Dimethylphenyl)piperazino]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 25241702
N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50768304
N-[(1S)-1-[3-[(2S)-4-(4-ethoxy-2-methylphenyl)-2-methylpiperazin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 76328442

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 4264273) is N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is COc1cccc(-c2noc(C3CCCCN3C(=O)Nc3cccc(C#N)c3)n2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is UIIMLNPGXJGUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-29-18-9-5-7-16(13-18)20-25-21(30-26-20)19-10-2-3-11-27(19)22(28)24-17-8-4-6-15(12-17)14-23/h4-9,12-13,19H,2-3,10-11H2,1H3,(H,24,28).
What are the key properties of N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 4264273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).