1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone

C20H31N3O — CID 134032072

IUPAC1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESCC1CCN(C(=O)CN2CCN(CCc3ccccc3)CC2)CC1
InChIInChI=1S/C20H31N3O/c1-18-7-11-23(12-8-18)20(24)17-22-15-13-21(14-16-22)10-9-19-5-3-2-4-6-19/h2-6,18H,7-17H2,1H3
InChIKeyUGHIDKHXBOXOOH-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.11
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone

1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone (PubChem CID 134032072) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
PubChem CID134032072
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESCC1CCN(C(=O)CN2CCN(CCc3ccccc3)CC2)CC1
InChIInChI=1S/C20H31N3O/c1-18-7-11-23(12-8-18)20(24)17-22-15-13-21(14-16-22)10-9-19-5-3-2-4-6-19/h2-6,18H,7-17H2,1H3
InChIKeyUGHIDKHXBOXOOH-UHFFFAOYSA-N
XLogP2.11
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521829
1-(4-benzylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942723
1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol
CID 110905075
(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 26329649
1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 176882445
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 47014088
1-[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 170962162
N-methyl-N-[1-[2-(4-methylpiperidin-1-yl)acetyl]azepan-4-yl]-1-phenylmethanesulfonamide
CID 110248479
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone (CID 134032072) is 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone is CC1CCN(C(=O)CN2CCN(CCc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The InChIKey is UGHIDKHXBOXOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-18-7-11-23(12-8-18)20(24)17-22-15-13-21(14-16-22)10-9-19-5-3-2-4-6-19/h2-6,18H,7-17H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone has a molecular weight of 329.49 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 134032072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).