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

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

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Related Compounds

N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
CID 10089048
N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
CID 21078798
N-[(4-chlorophenyl)methyl]-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10159882
N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093465
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-{[3-(morpholin-4-ylmethyl)phenyl]methyl}benzamide
CID 25093466
1-{4-[5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzyl}azetidine-3-carboxylic acid
CID 11502026
N-(3-hydroxypropyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 11484931
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078793
N-(cyclopropylmethyl)-4-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]benzamide
CID 21078794
2-Methyl-5-{4-methyl-3-[4-(piperidin-1-ylcarbonyl)phenyl]phenyl}-1,3,4-oxadiazole
CID 25093468
1-Benzyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 3959338
1-[3-(5-Biphenyl-4-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidine
CID 16187288

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).