[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

C16H26N4O3S — CID 52992556

IUPAC[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(Cn3ccnc3)CC2)CC1
InChIInChI=1S/C16H26N4O3S/c1-24(22,23)20-9-4-15(5-10-20)16(21)19-7-2-14(3-8-19)12-18-11-6-17-13-18/h6,11,13-15H,2-5,7-10,12H2,1H3
InChIKeyPRZHXFZMJZUTNV-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.79
Rot. Bonds4

About [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 52992556) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID52992556
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(Cn3ccnc3)CC2)CC1
InChIInChI=1S/C16H26N4O3S/c1-24(22,23)20-9-4-15(5-10-20)16(21)19-7-2-14(3-8-19)12-18-11-6-17-13-18/h6,11,13-15H,2-5,7-10,12H2,1H3
InChIKeyPRZHXFZMJZUTNV-UHFFFAOYSA-N
XLogP0.79
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (CID 52992556) is [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is CS(=O)(=O)N1CCC(C(=O)N2CCC(Cn3ccnc3)CC2)CC1.
What is the InChIKey of [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is PRZHXFZMJZUTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-24(22,23)20-9-4-15(5-10-20)16(21)19-7-2-14(3-8-19)12-18-11-6-17-13-18/h6,11,13-15H,2-5,7-10,12H2,1H3.
What are the key properties of [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 354.48 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 52992556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).