N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide

C25H26N4O3 — CID 46446205

IUPACN-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)N4CCC(NC(=O)C5CC5)CC4)cc3)o2)c1
InChIInChI=1S/C25H26N4O3/c1-16-3-2-4-20(15-16)24-28-27-23(32-24)18-7-9-19(10-8-18)25(31)29-13-11-21(12-14-29)26-22(30)17-5-6-17/h2-4,7-10,15,17,21H,5-6,11-14H2,1H3,(H,26,30)
InChIKeyQINZQBGGEOSYCI-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.84
Rot. Bonds5

About N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 46446205) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID46446205
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)N4CCC(NC(=O)C5CC5)CC4)cc3)o2)c1
InChIInChI=1S/C25H26N4O3/c1-16-3-2-4-20(15-16)24-28-27-23(32-24)18-7-9-19(10-8-18)25(31)29-13-11-21(12-14-29)26-22(30)17-5-6-17/h2-4,7-10,15,17,21H,5-6,11-14H2,1H3,(H,26,30)
InChIKeyQINZQBGGEOSYCI-UHFFFAOYSA-N
XLogP3.84
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide
CID 47021153
N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55820403
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 16854750
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
CID 134048136
N-cyclopropyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166922
N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42395399
[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 134046698
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
CID 110319376
N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 134803693

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide (CID 46446205) is N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide is Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCC(NC(=O)C5CC5)CC4)cc3)o2)c1.
What is the InChIKey of N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is QINZQBGGEOSYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16-3-2-4-20(15-16)24-28-27-23(32-24)18-7-9-19(10-8-18)25(31)29-13-11-21(12-14-29)26-22(30)17-5-6-17/h2-4,7-10,15,17,21H,5-6,11-14H2,1H3,(H,26,30).
What are the key properties of N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46446205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).