N-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

C20H37N3O3S — CID 4061982

IUPACN-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CCCCCC3)C2)C1
InChIInChI=1S/C20H37N3O3S/c1-16-12-17(2)14-23(13-16)27(25,26)22-11-7-8-18(15-22)20(24)21-19-9-5-3-4-6-10-19/h16-19H,3-15H2,1-2H3,(H,21,24)
InChIKeyREBMSNDADLHSPA-UHFFFAOYSA-N
MW399.60 g/mol
LogP2.76
Rot. Bonds4

About N-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

N-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 4061982) has the molecular formula C20H37N3O3S and a molecular weight of 399.60 g/mol. Its IUPAC name is N-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
PubChem CID4061982
Molecular FormulaC20H37N3O3S
Molecular Weight399.60 g/mol
Exact Mass399.26
IUPAC NameN-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CCCCCC3)C2)C1
InChIInChI=1S/C20H37N3O3S/c1-16-12-17(2)14-23(13-16)27(25,26)22-11-7-8-18(15-22)20(24)21-19-9-5-3-4-6-10-19/h16-19H,3-15H2,1-2H3,(H,21,24)
InChIKeyREBMSNDADLHSPA-UHFFFAOYSA-N
XLogP2.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.60
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 5099315
N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 3317219
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 3320932
1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide
CID 3618793
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 4070416
N-cyclooctyl-1-[(3,5-dimethylpiperidin-1-yl)sulfonyl]piperidine-3-carboxamide
CID 4293138
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 22552992
1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 5123122
N-(2,3-dimethylcyclohexyl)-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 3415096
1-(Azepane-1-sulfonyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 3589350
N-[3-(azepan-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 3686338
1-(azepan-1-ylsulfonyl)-N-butan-2-ylpiperidine-3-carboxamide
CID 4050568

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (CID 4061982) is N-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is CC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NC3CCCCCC3)C2)C1.
What is the InChIKey of N-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is REBMSNDADLHSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3S/c1-16-12-17(2)14-23(13-16)27(25,26)22-11-7-8-18(15-22)20(24)21-19-9-5-3-4-6-10-19/h16-19H,3-15H2,1-2H3,(H,21,24).
What are the key properties of N-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
N-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 399.60 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4061982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).