[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone

C15H23N3O3S — CID 128903013

IUPAC[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone
SMILESCS(=O)(=O)C1(C(=O)N2CCC(Cc3ncc[nH]3)CC2)CCC1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)15(5-2-6-15)14(19)18-9-3-12(4-10-18)11-13-16-7-8-17-13/h7-8,12H,2-6,9-11H2,1H3,(H,16,17)
InChIKeyMKYMVCUUSKOFCU-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.16
Rot. Bonds4

About [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone

[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone (PubChem CID 128903013) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone
PubChem CID128903013
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone
SMILESCS(=O)(=O)C1(C(=O)N2CCC(Cc3ncc[nH]3)CC2)CCC1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)15(5-2-6-15)14(19)18-9-3-12(4-10-18)11-13-16-7-8-17-13/h7-8,12H,2-6,9-11H2,1H3,(H,16,17)
InChIKeyMKYMVCUUSKOFCU-UHFFFAOYSA-N
XLogP1.16
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone?
The IUPAC name of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone (CID 128903013) is [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone.
What is the SMILES notation for [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone?
The canonical SMILES for [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone is CS(=O)(=O)C1(C(=O)N2CCC(Cc3ncc[nH]3)CC2)CCC1.
What is the InChIKey of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone?
The InChIKey is MKYMVCUUSKOFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-22(20,21)15(5-2-6-15)14(19)18-9-3-12(4-10-18)11-13-16-7-8-17-13/h7-8,12H,2-6,9-11H2,1H3,(H,16,17).
What are the key properties of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone?
[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone has a molecular weight of 325.43 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(1-methylsulfonylcyclobutyl)methanone is sourced from PubChem (CID 128903013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).