N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

C32H34ClN5O3 — CID 43928055

IUPACN-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)C3CCN(Cc4nc(-c5cccc(Cl)c5)no4)CC3)c2)cc1
InChIInChI=1S/C32H34ClN5O3/c1-32(2,3)24-12-10-21(11-13-24)30(39)34-26-8-5-9-27(19-26)35-31(40)22-14-16-38(17-15-22)20-28-36-29(37-41-28)23-6-4-7-25(33)18-23/h4-13,18-19,22H,14-17,20H2,1-3H3,(H,34,39)(H,35,40)
InChIKeyJGUUFIAESUSIAU-UHFFFAOYSA-N
MW572.11 g/mol
LogP6.79
Rot. Bonds7

About N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 43928055) has the molecular formula C32H34ClN5O3 and a molecular weight of 572.11 g/mol. Its IUPAC name is N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID43928055
Molecular FormulaC32H34ClN5O3
Molecular Weight572.11 g/mol
Exact Mass571.24
IUPAC NameN-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)C3CCN(Cc4nc(-c5cccc(Cl)c5)no4)CC3)c2)cc1
InChIInChI=1S/C32H34ClN5O3/c1-32(2,3)24-12-10-21(11-13-24)30(39)34-26-8-5-9-27(19-26)35-31(40)22-14-16-38(17-15-22)20-28-36-29(37-41-28)23-6-4-7-25(33)18-23/h4-13,18-19,22H,14-17,20H2,1-3H3,(H,34,39)(H,35,40)
InChIKeyJGUUFIAESUSIAU-UHFFFAOYSA-N
XLogP6.79
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.11
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141601
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 38155258
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 38144131
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 38155757
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 38144361
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931833
N-(4-butylphenyl)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38155718
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 38155610
N-(3-acetamidophenyl)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934264
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 38155254
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide
CID 38155425
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 38144044

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 43928055) is N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)C3CCN(Cc4nc(-c5cccc(Cl)c5)no4)CC3)c2)cc1.
What is the InChIKey of N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is JGUUFIAESUSIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClN5O3/c1-32(2,3)24-12-10-21(11-13-24)30(39)34-26-8-5-9-27(19-26)35-31(40)22-14-16-38(17-15-22)20-28-36-29(37-41-28)23-6-4-7-25(33)18-23/h4-13,18-19,22H,14-17,20H2,1-3H3,(H,34,39)(H,35,40).
What are the key properties of N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 572.11 g/mol, XLogP of 6.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43928055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).