1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide

C23H32N4O4S — CID 55972563

IUPAC1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide
SMILESCc1nc(C2(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)CCCCCC2)no1
InChIInChI=1S/C23H32N4O4S/c1-18-24-22(26-31-18)23(13-7-2-3-8-14-23)25-21(28)20-11-15-27(16-12-20)32(29,30)17-19-9-5-4-6-10-19/h4-6,9-10,20H,2-3,7-8,11-17H2,1H3,(H,25,28)
InChIKeyNQHXTDMRINAMHL-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.29
Rot. Bonds6

About 1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide

1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide (PubChem CID 55972563) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide
PubChem CID55972563
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC Name1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide
SMILESCc1nc(C2(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)CCCCCC2)no1
InChIInChI=1S/C23H32N4O4S/c1-18-24-22(26-31-18)23(13-7-2-3-8-14-23)25-21(28)20-11-15-27(16-12-20)32(29,30)17-19-9-5-4-6-10-19/h4-6,9-10,20H,2-3,7-8,11-17H2,1H3,(H,25,28)
InChIKeyNQHXTDMRINAMHL-UHFFFAOYSA-N
XLogP3.29
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]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-(furan-2-carbonyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]piperidine-4-carboxamide
CID 55528496
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]cyclopentanecarboxamide
CID 35781179
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86822640
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166411028
1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide
CID 55621991
2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide
CID 78863893
1-(furan-3-carbonyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]piperidine-3-carboxamide
CID 46568205
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyrrolidine-3-carboxamide
CID 119701778
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119701777
1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide
CID 55672653
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51079253
4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622238

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide (CID 55972563) is 1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide is Cc1nc(C2(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)CCCCCC2)no1.
What is the InChIKey of 1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide?
The InChIKey is NQHXTDMRINAMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-18-24-22(26-31-18)23(13-7-2-3-8-14-23)25-21(28)20-11-15-27(16-12-20)32(29,30)17-19-9-5-4-6-10-19/h4-6,9-10,20H,2-3,7-8,11-17H2,1H3,(H,25,28).
What are the key properties of 1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide?
1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide has a molecular weight of 460.60 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide is sourced from PubChem (CID 55972563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).