1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide

C19H28N2O3S — CID 1327626

IUPAC1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O3S/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/h3,6-7,10-11,16-17H,1-2,4-5,8-9,12-15H2,(H,20,22)
InChIKeyGTVVRZMRZUOEHU-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.93
Rot. Bonds4

About 1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide

1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide (PubChem CID 1327626) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide
PubChem CID1327626
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O3S/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/h3,6-7,10-11,16-17H,1-2,4-5,8-9,12-15H2,(H,20,22)
InChIKeyGTVVRZMRZUOEHU-UHFFFAOYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide (CID 1327626) is 1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide?
The InChIKey is GTVVRZMRZUOEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/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/h3,6-7,10-11,16-17H,1-2,4-5,8-9,12-15H2,(H,20,22).
What are the key properties of 1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide?
1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide has a molecular weight of 364.51 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-cycloheptylpiperidine-4-carboxamide is sourced from PubChem (CID 1327626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).