N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide

C27H32N4O3 — CID 52666458

IUPACN-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)CC1
InChIInChI=1S/C27H32N4O3/c1-4-5-16-30(3)26(32)22-14-17-31(18-15-22)27(33)21-12-10-20(11-13-21)24-28-29-25(34-24)23-9-7-6-8-19(23)2/h6-13,22H,4-5,14-18H2,1-3H3
InChIKeyKUYJBVWCNKAHCH-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.82
Rot. Bonds7

About N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide

N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide (PubChem CID 52666458) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide
PubChem CID52666458
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC NameN-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)CC1
InChIInChI=1S/C27H32N4O3/c1-4-5-16-30(3)26(32)22-14-17-31(18-15-22)27(33)21-12-10-20(11-13-21)24-28-29-25(34-24)23-9-7-6-8-19(23)2/h6-13,22H,4-5,14-18H2,1-3H3
InChIKeyKUYJBVWCNKAHCH-UHFFFAOYSA-N
XLogP4.82
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide (CID 52666458) is N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide?
The InChIKey is KUYJBVWCNKAHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-4-5-16-30(3)26(32)22-14-17-31(18-15-22)27(33)21-12-10-20(11-13-21)24-28-29-25(34-24)23-9-7-6-8-19(23)2/h6-13,22H,4-5,14-18H2,1-3H3.
What are the key properties of N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide?
N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 52666458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).