N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C17H31N3O3S — CID 3563261

IUPACN-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C17H31N3O3S/c21-17(18-16-7-3-1-2-4-8-16)15-9-13-20(14-10-15)24(22,23)19-11-5-6-12-19/h15-16H,1-14H2,(H,18,21)
InChIKeyKDOYNNNCCFRICU-UHFFFAOYSA-N
MW357.52 g/mol
LogP1.88
Rot. Bonds4

About N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3563261) has the molecular formula C17H31N3O3S and a molecular weight of 357.52 g/mol. Its IUPAC name is N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3563261
Molecular FormulaC17H31N3O3S
Molecular Weight357.52 g/mol
Exact Mass357.21
IUPAC NameN-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C17H31N3O3S/c21-17(18-16-7-3-1-2-4-8-16)15-9-13-20(14-10-15)24(22,23)19-11-5-6-12-19/h15-16H,1-14H2,(H,18,21)
InChIKeyKDOYNNNCCFRICU-UHFFFAOYSA-N
XLogP1.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
N-cyclohexyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552797
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
N-(5-cycloheptylcyclooctyl)cycloheptanecarboxamide
CID 166761294
(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447237
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3563261) is N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is KDOYNNNCCFRICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3S/c21-17(18-16-7-3-1-2-4-8-16)15-9-13-20(14-10-15)24(22,23)19-11-5-6-12-19/h15-16H,1-14H2,(H,18,21).
What are the key properties of N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3563261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).