N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

C19H32N4O3S — CID 5309598

IUPACN-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C19H32N4O3S/c1-14-18(15(2)22(3)21-14)27(25,26)23-12-8-9-16(13-23)19(24)20-17-10-6-4-5-7-11-17/h16-17H,4-13H2,1-3H3,(H,20,24)
InChIKeyKQCIZPUDLOHUJC-UHFFFAOYSA-N
MW396.56 g/mol
LogP2.28
Rot. Bonds4

About N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 5309598) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID5309598
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC NameN-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C19H32N4O3S/c1-14-18(15(2)22(3)21-14)27(25,26)23-12-8-9-16(13-23)19(24)20-17-10-6-4-5-7-11-17/h16-17H,4-13H2,1-3H3,(H,20,24)
InChIKeyKQCIZPUDLOHUJC-UHFFFAOYSA-N
XLogP2.28
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 5309598) is N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCCC2)C1.
What is the InChIKey of N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is KQCIZPUDLOHUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-14-18(15(2)22(3)21-14)27(25,26)23-12-8-9-16(13-23)19(24)20-17-10-6-4-5-7-11-17/h16-17H,4-13H2,1-3H3,(H,20,24).
What are the key properties of N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5309598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).