2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone

C24H31N3O2 — CID 113078995

IUPAC2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(c3ccc(N4CCCCC4)cc3)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-29-23-11-5-20(6-12-23)19-24(28)27-17-15-26(16-18-27)22-9-7-21(8-10-22)25-13-3-2-4-14-25/h5-12H,2-4,13-19H2,1H3
InChIKeyNCDWIBHMSICKBI-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.58
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone (PubChem CID 113078995) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
PubChem CID113078995
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(c3ccc(N4CCCCC4)cc3)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-29-23-11-5-20(6-12-23)19-24(28)27-17-15-26(16-18-27)22-9-7-21(8-10-22)25-13-3-2-4-14-25/h5-12H,2-4,13-19H2,1H3
InChIKeyNCDWIBHMSICKBI-UHFFFAOYSA-N
XLogP3.58
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2839448
2-(4-fluorophenyl)-1-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37404624
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
2-(2,6-dichlorophenyl)-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]ethanone
CID 55917762
1-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 1056337
2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 71706113
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110364752
N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide
CID 4558492
3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 55918908
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996020

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone (CID 113078995) is 2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone is COc1ccc(CC(=O)N2CCN(c3ccc(N4CCCCC4)cc3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone?
The InChIKey is NCDWIBHMSICKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-29-23-11-5-20(6-12-23)19-24(28)27-17-15-26(16-18-27)22-9-7-21(8-10-22)25-13-3-2-4-14-25/h5-12H,2-4,13-19H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone has a molecular weight of 393.53 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 113078995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).