N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C15H24N4O3S — CID 53007816

IUPACN-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)c1
InChIInChI=1S/C15H24N4O3S/c1-11(2)18-9-14(16-10-18)23(21,22)19-7-5-12(6-8-19)15(20)17-13-3-4-13/h9-13H,3-8H2,1-2H3,(H,17,20)
InChIKeyQEVQCAOOAVTZME-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.14
Rot. Bonds5

About N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 53007816) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID53007816
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)c1
InChIInChI=1S/C15H24N4O3S/c1-11(2)18-9-14(16-10-18)23(21,22)19-7-5-12(6-8-19)15(20)17-13-3-4-13/h9-13H,3-8H2,1-2H3,(H,17,20)
InChIKeyQEVQCAOOAVTZME-UHFFFAOYSA-N
XLogP1.14
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 53007816) is N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is CC(C)n1cnc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)c1.
What is the InChIKey of N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QEVQCAOOAVTZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-11(2)18-9-14(16-10-18)23(21,22)19-7-5-12(6-8-19)15(20)17-13-3-4-13/h9-13H,3-8H2,1-2H3,(H,17,20).
What are the key properties of N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53007816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).