4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide

C33H38N4O2 — CID 143233457

IUPAC4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(-c3noc(-c4ccccc4)n3)cc2)C2CCN(CCC(C)C)CC2)cc1
InChIInChI=1S/C33H38N4O2/c1-24(2)17-20-36-21-18-30(19-22-36)37(33(38)29-13-9-25(3)10-14-29)23-26-11-15-27(16-12-26)31-34-32(39-35-31)28-7-5-4-6-8-28/h4-16,24,30H,17-23H2,1-3H3
InChIKeyBCDGHIWTOBRVCH-UHFFFAOYSA-N
MW522.69 g/mol
LogP6.86
Rot. Bonds9

About 4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide

4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide (PubChem CID 143233457) has the molecular formula C33H38N4O2 and a molecular weight of 522.69 g/mol. Its IUPAC name is 4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide
PubChem CID143233457
Molecular FormulaC33H38N4O2
Molecular Weight522.69 g/mol
Exact Mass522.30
IUPAC Name4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(-c3noc(-c4ccccc4)n3)cc2)C2CCN(CCC(C)C)CC2)cc1
InChIInChI=1S/C33H38N4O2/c1-24(2)17-20-36-21-18-30(19-22-36)37(33(38)29-13-9-25(3)10-14-29)23-26-11-15-27(16-12-26)31-34-32(39-35-31)28-7-5-4-6-8-28/h4-16,24,30H,17-23H2,1-3H3
InChIKeyBCDGHIWTOBRVCH-UHFFFAOYSA-N
XLogP6.86
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzoic acid;N-[(4-cyanophenyl)methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide;N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide;methanamine;N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide
CID 172967396
N-[[4-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide
CID 11527527
N-[[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide
CID 59688855
N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide
CID 143233493
N,4-dimethyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide
CID 143233555
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide
CID 143233532
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methylphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 42279888
5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide
CID 143233487
3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482061
4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2227137
4-[[(4-ethenylbenzoyl)-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]-N-(4-methoxyphenyl)benzamide
CID 70325763
2-[[4-[5-[4-(4-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-[4-(2-methylpropanoylamino)benzoyl]amino]acetic acid
CID 71112143

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide (CID 143233457) is 4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide is Cc1ccc(C(=O)N(Cc2ccc(-c3noc(-c4ccccc4)n3)cc2)C2CCN(CCC(C)C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide?
The InChIKey is BCDGHIWTOBRVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O2/c1-24(2)17-20-36-21-18-30(19-22-36)37(33(38)29-13-9-25(3)10-14-29)23-26-11-15-27(16-12-26)31-34-32(39-35-31)28-7-5-4-6-8-28/h4-16,24,30H,17-23H2,1-3H3.
What are the key properties of 4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide?
4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide has a molecular weight of 522.69 g/mol, XLogP of 6.86, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 143233457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).