N-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

C19H35N3O3S — CID 4083756

IUPACN-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NC3CCCCCC3)C2)CC1
InChIInChI=1S/C19H35N3O3S/c1-16-10-13-21(14-11-16)26(24,25)22-12-6-7-17(15-22)19(23)20-18-8-4-2-3-5-9-18/h16-18H,2-15H2,1H3,(H,20,23)
InChIKeyNDFVKMHUYOEIBC-UHFFFAOYSA-N
MW385.57 g/mol
LogP2.51
Rot. Bonds4

About N-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

N-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 4083756) has the molecular formula C19H35N3O3S and a molecular weight of 385.57 g/mol. Its IUPAC name is N-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
PubChem CID4083756
Molecular FormulaC19H35N3O3S
Molecular Weight385.57 g/mol
Exact Mass385.24
IUPAC NameN-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NC3CCCCCC3)C2)CC1
InChIInChI=1S/C19H35N3O3S/c1-16-10-13-21(14-11-16)26(24,25)22-12-6-7-17(15-22)19(23)20-18-8-4-2-3-5-9-18/h16-18H,2-15H2,1H3,(H,20,23)
InChIKeyNDFVKMHUYOEIBC-UHFFFAOYSA-N
XLogP2.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.57
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (CID 4083756) is N-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is CC1CCN(S(=O)(=O)N2CCCC(C(=O)NC3CCCCCC3)C2)CC1.
What is the InChIKey of N-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is NDFVKMHUYOEIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3S/c1-16-10-13-21(14-11-16)26(24,25)22-12-6-7-17(15-22)19(23)20-18-8-4-2-3-5-9-18/h16-18H,2-15H2,1H3,(H,20,23).
What are the key properties of N-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
N-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 385.57 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4083756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).