2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone

C18H27N3O — CID 141171395

IUPAC2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H27N3O/c1-19-11-13-20(14-12-19)15-18(22)21-9-7-17(8-10-21)16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeyUCMDHPSWPJALLS-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.64
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone

2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone (PubChem CID 141171395) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
PubChem CID141171395
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H27N3O/c1-19-11-13-20(14-12-19)15-18(22)21-9-7-17(8-10-21)16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3
InChIKeyUCMDHPSWPJALLS-UHFFFAOYSA-N
XLogP1.64
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 22355892
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 70767253
2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 171387000
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
CID 95592150
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 72840049
[2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate
CID 151988178
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 58826194
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 134032072
1-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 70784337
2-(1,4-diazepan-1-yl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62833293

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone (CID 141171395) is 2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone is CN1CCN(CC(=O)N2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone?
The InChIKey is UCMDHPSWPJALLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-19-11-13-20(14-12-19)15-18(22)21-9-7-17(8-10-21)16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone?
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone has a molecular weight of 301.43 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone is sourced from PubChem (CID 141171395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).