N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C15H24N4O3S — CID 91628970

IUPACN-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCn2ccnc2C2CC2)CC1
InChIInChI=1S/C15H24N4O3S/c1-23(21,22)19-8-4-13(5-9-19)15(20)17-7-11-18-10-6-16-14(18)12-2-3-12/h6,10,12-13H,2-5,7-9,11H2,1H3,(H,17,20)
InChIKeyGNZYGKBZAKOIER-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.55
Rot. Bonds6

About N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 91628970) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID91628970
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCn2ccnc2C2CC2)CC1
InChIInChI=1S/C15H24N4O3S/c1-23(21,22)19-8-4-13(5-9-19)15(20)17-7-11-18-10-6-16-14(18)12-2-3-12/h6,10,12-13H,2-5,7-9,11H2,1H3,(H,17,20)
InChIKeyGNZYGKBZAKOIER-UHFFFAOYSA-N
XLogP0.55
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 91628970) is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCCn2ccnc2C2CC2)CC1.
What is the InChIKey of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is GNZYGKBZAKOIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-23(21,22)19-8-4-13(5-9-19)15(20)17-7-11-18-10-6-16-14(18)12-2-3-12/h6,10,12-13H,2-5,7-9,11H2,1H3,(H,17,20).
What are the key properties of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 91628970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).