N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C26H30N4O3 — CID 92897412

IUPACN-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1
InChIInChI=1S/C26H30N4O3/c1-17(31)27-22-13-9-18(10-14-22)23-28-24(33-29-23)20-6-5-15-30(16-20)25(32)19-7-11-21(12-8-19)26(2,3)4/h7-14,20H,5-6,15-16H2,1-4H3,(H,27,31)/t20-/m0/s1
InChIKeyMTNOFHGNWBXUKA-FQEVSTJZSA-N
MW446.55 g/mol
LogP5.01
Rot. Bonds4

About N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 92897412) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID92897412
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1
InChIInChI=1S/C26H30N4O3/c1-17(31)27-22-13-9-18(10-14-22)23-28-24(33-29-23)20-6-5-15-30(16-20)25(32)19-7-11-21(12-8-19)26(2,3)4/h7-14,20H,5-6,15-16H2,1-4H3,(H,27,31)/t20-/m0/s1
InChIKeyMTNOFHGNWBXUKA-FQEVSTJZSA-N
XLogP5.01
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide 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

N-[4-[5-[(3R)-1-(4-chlorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93071646
N-[4-[5-[(3S)-1-(3,4-difluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 92897424
N-[4-[5-[(3R)-1-(3-bromobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 92897499
N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 50835620
N-[4-[5-[(3S)-1-(5-bromopyridine-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 92897480
N-[4-[5-[1-(3,4,5-trimethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 50835838
N-[4-[5-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 50835669
[(3R)-3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93100919
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
(3R)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1456358
N-[4-[5-[(3S)-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 92897444

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 92897412) is N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1.
What is the InChIKey of N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is MTNOFHGNWBXUKA-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-17(31)27-22-13-9-18(10-14-22)23-28-24(33-29-23)20-6-5-15-30(16-20)25(32)19-7-11-21(12-8-19)26(2,3)4/h7-14,20H,5-6,15-16H2,1-4H3,(H,27,31)/t20-/m0/s1.
What are the key properties of N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 446.55 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 92897412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).