2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone

C21H33N5O2 — CID 170861431

IUPAC2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone
SMILESCN1CCN(CC(=O)N2CCN(c3ccc(OC4CCNC4)cc3)CC2)CC1
InChIInChI=1S/C21H33N5O2/c1-23-8-10-24(11-9-23)17-21(27)26-14-12-25(13-15-26)18-2-4-19(5-3-18)28-20-6-7-22-16-20/h2-5,20,22H,6-17H2,1H3
InChIKeyYMVZNUJMGBULGL-UHFFFAOYSA-N
MW387.53 g/mol
LogP0.32
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone

2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone (PubChem CID 170861431) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone
PubChem CID170861431
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone
SMILESCN1CCN(CC(=O)N2CCN(c3ccc(OC4CCNC4)cc3)CC2)CC1
InChIInChI=1S/C21H33N5O2/c1-23-8-10-24(11-9-23)17-21(27)26-14-12-25(13-15-26)18-2-4-19(5-3-18)28-20-6-7-22-16-20/h2-5,20,22H,6-17H2,1H3
InChIKeyYMVZNUJMGBULGL-UHFFFAOYSA-N
XLogP0.32
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-[4-(4-piperidin-4-yloxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 170861434
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
1-[4-[4-[(3R)-piperidin-3-yl]oxyphenyl]piperazin-1-yl]ethanone
CID 26191624
2-(4-fluorophenyl)-1-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37404624
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone
CID 143404062
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde
CID 108995948
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide
CID 86322818
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 861157

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone (CID 170861431) is 2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone is CN1CCN(CC(=O)N2CCN(c3ccc(OC4CCNC4)cc3)CC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is YMVZNUJMGBULGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-23-8-10-24(11-9-23)17-21(27)26-14-12-25(13-15-26)18-2-4-19(5-3-18)28-20-6-7-22-16-20/h2-5,20,22H,6-17H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone?
2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 387.53 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-[4-(4-pyrrolidin-3-yloxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 170861431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).