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

C23H32N4O3 — CID 55950279

IUPACN-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CCCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C23H32N4O3/c1-3-4-15-26(2)23(29)19-13-16-27(17-14-19)21(28)12-8-11-20-24-25-22(30-20)18-9-6-5-7-10-18/h5-7,9-10,19H,3-4,8,11-17H2,1-2H3
InChIKeyYMPDHBZVQUTPPM-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.56
Rot. Bonds9

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

N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide (PubChem CID 55950279) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide
PubChem CID55950279
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CCCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C23H32N4O3/c1-3-4-15-26(2)23(29)19-13-16-27(17-14-19)21(28)12-8-11-20-24-25-22(30-20)18-9-6-5-7-10-18/h5-7,9-10,19H,3-4,8,11-17H2,1-2H3
InChIKeyYMPDHBZVQUTPPM-UHFFFAOYSA-N
XLogP3.56
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide 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

1-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 55891565
N-butyl-N-methyl-1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-4-carboxamide
CID 52666458
1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 99789407
N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide
CID 55950149
4-[3-[4-[butyl(methyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119181832
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 31828706
N-butyl-N-methyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 60526195
N-butyl-1-[2-(2-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005684
N-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]butan-1-amine
CID 110653712
1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119738371
1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 55876605

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide (CID 55950279) is N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)CCCc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide?
The InChIKey is YMPDHBZVQUTPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-3-4-15-26(2)23(29)19-13-16-27(17-14-19)21(28)12-8-11-20-24-25-22(30-20)18-9-6-5-7-10-18/h5-7,9-10,19H,3-4,8,11-17H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide?
N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 3.56, 9 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-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55950279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).