N-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide

C19H34N2O3S — CID 57395107

IUPACN-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H34N2O3S/c22-19(20-17-8-4-1-2-5-9-17)16-12-14-21(15-13-16)25(23,24)18-10-6-3-7-11-18/h16-18H,1-15H2,(H,20,22)
InChIKeyBGVPCKPEQROMDY-UHFFFAOYSA-N
MW370.56 g/mol
LogP3.20
Rot. Bonds4

About N-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide (PubChem CID 57395107) has the molecular formula C19H34N2O3S and a molecular weight of 370.56 g/mol. Its IUPAC name is N-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide
PubChem CID57395107
Molecular FormulaC19H34N2O3S
Molecular Weight370.56 g/mol
Exact Mass370.23
IUPAC NameN-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H34N2O3S/c22-19(20-17-8-4-1-2-5-9-17)16-12-14-21(15-13-16)25(23,24)18-10-6-3-7-11-18/h16-18H,1-15H2,(H,20,22)
InChIKeyBGVPCKPEQROMDY-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3236575
N-(2,3-dimethylcyclohexyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3238260
N-(2-methylcyclohexyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3238894
N-[3-(1-azepanyl)propyl]-1-ethylsulfonyl-4-piperidinecarboxamide
CID 3244583
N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide
CID 57391642
N-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide
CID 57391643
N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 57393386
1-(2-chloroethylsulfonyl)-N-cycloheptylpiperidine-4-carboxamide
CID 57400302
Cyclohexanecarboxylic acid (1-ethanesulfonyl-piperidin-4-yl)-amide
CID 645503
N-(sec-butyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3237619
N-cyclooctyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3245993
N-(4-methylcyclohexyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3242270

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide (CID 57395107) is N-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide?
The InChIKey is BGVPCKPEQROMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3S/c22-19(20-17-8-4-1-2-5-9-17)16-12-14-21(15-13-16)25(23,24)18-10-6-3-7-11-18/h16-18H,1-15H2,(H,20,22).
What are the key properties of N-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide has a molecular weight of 370.56 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-cyclohexylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 57395107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).