1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone

C19H27N3O3 — CID 11667357

IUPAC1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1cccc(N2CCC(C(=O)N3CCN(C(C)=O)CC3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-15(23)20-10-12-22(13-11-20)19(24)16-6-8-21(9-7-16)17-4-3-5-18(14-17)25-2/h3-5,14,16H,6-13H2,1-2H3
InChIKeyRBHQCRZPSZTKIA-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.60
Rot. Bonds3

About 1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 11667357) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID11667357
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1cccc(N2CCC(C(=O)N3CCN(C(C)=O)CC3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-15(23)20-10-12-22(13-11-20)19(24)16-6-8-21(9-7-16)17-4-3-5-18(14-17)25-2/h3-5,14,16H,6-13H2,1-2H3
InChIKeyRBHQCRZPSZTKIA-UHFFFAOYSA-N
XLogP1.60
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone (CID 11667357) is 1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone is COc1cccc(N2CCC(C(=O)N3CCN(C(C)=O)CC3)CC2)c1.
What is the InChIKey of 1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is RBHQCRZPSZTKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15(23)20-10-12-22(13-11-20)19(24)16-6-8-21(9-7-16)17-4-3-5-18(14-17)25-2/h3-5,14,16H,6-13H2,1-2H3.
What are the key properties of 1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 345.44 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-methoxyphenyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 11667357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).