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

C19H29N3O2 — CID 652566

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(N2CCN(CC(=O)N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-16-7-9-22(10-8-16)19(23)15-20-11-13-21(14-12-20)17-3-5-18(24-2)6-4-17/h3-6,16H,7-15H2,1-2H3
InChIKeyKZYMATYLUODFAA-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.08
Rot. Bonds4

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

2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 652566) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID652566
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(N2CCN(CC(=O)N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-16-7-9-22(10-8-16)19(23)15-20-11-13-21(14-12-20)17-3-5-18(24-2)6-4-17/h3-6,16H,7-15H2,1-2H3
InChIKeyKZYMATYLUODFAA-UHFFFAOYSA-N
XLogP2.08
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 652566) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is COc1ccc(N2CCN(CC(=O)N3CCC(C)CC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is KZYMATYLUODFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-16-7-9-22(10-8-16)19(23)15-20-11-13-21(14-12-20)17-3-5-18(24-2)6-4-17/h3-6,16H,7-15H2,1-2H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 331.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 652566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).