1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone

C19H33N5O — CID 72880762

IUPAC1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)N1CCC(CC(=O)N2CCN(Cc3nccn3C)CC2)CC1
InChIInChI=1S/C19H33N5O/c1-16(2)23-7-4-17(5-8-23)14-19(25)24-12-10-22(11-13-24)15-18-20-6-9-21(18)3/h6,9,16-17H,4-5,7-8,10-15H2,1-3H3
InChIKeyOURPYQZKABEDSF-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.57
Rot. Bonds5

About 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone (PubChem CID 72880762) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
PubChem CID72880762
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)N1CCC(CC(=O)N2CCN(Cc3nccn3C)CC2)CC1
InChIInChI=1S/C19H33N5O/c1-16(2)23-7-4-17(5-8-23)14-19(25)24-12-10-22(11-13-24)15-18-20-6-9-21(18)3/h6,9,16-17H,4-5,7-8,10-15H2,1-3H3
InChIKeyOURPYQZKABEDSF-UHFFFAOYSA-N
XLogP1.57
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone (CID 72880762) is 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone is CC(C)N1CCC(CC(=O)N2CCN(Cc3nccn3C)CC2)CC1.
What is the InChIKey of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The InChIKey is OURPYQZKABEDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-16(2)23-7-4-17(5-8-23)14-19(25)24-12-10-22(11-13-24)15-18-20-6-9-21(18)3/h6,9,16-17H,4-5,7-8,10-15H2,1-3H3.
What are the key properties of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone has a molecular weight of 347.51 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 72880762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).