1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one

C20H28N2O4 — CID 70708600

IUPAC1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one
SMILESCOc1ccc(OC2CCN(C(=O)CCN3CCCCC3=O)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-25-16-5-7-17(8-6-16)26-18-9-13-22(14-10-18)20(24)11-15-21-12-3-2-4-19(21)23/h5-8,18H,2-4,9-15H2,1H3
InChIKeyBVAZCDGPMWCTID-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.47
Rot. Bonds6

About 1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one

1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one (PubChem CID 70708600) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one
PubChem CID70708600
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one
SMILESCOc1ccc(OC2CCN(C(=O)CCN3CCCCC3=O)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-25-16-5-7-17(8-6-16)26-18-9-13-22(14-10-18)20(24)11-15-21-12-3-2-4-19(21)23/h5-8,18H,2-4,9-15H2,1H3
InChIKeyBVAZCDGPMWCTID-UHFFFAOYSA-N
XLogP2.47
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70729575
1-[2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 78891391
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 33365745
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
(5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 95873697
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
1-[3-oxo-3-[(3S,4S)-3-(2-oxo-2-piperidin-1-ylethyl)-4-phenoxypiperidin-1-yl]propyl]pyrrolidin-2-one
CID 110164646
2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 110396830
1-[3-oxo-3-(4-phenylazepan-1-yl)propyl]azepan-2-one
CID 131898933
2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70729934
1-[3-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]azepan-2-one
CID 90649286

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one?
The IUPAC name of 1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one (CID 70708600) is 1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one.
What is the SMILES notation for 1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one?
The canonical SMILES for 1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one is COc1ccc(OC2CCN(C(=O)CCN3CCCCC3=O)CC2)cc1.
What is the InChIKey of 1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one?
The InChIKey is BVAZCDGPMWCTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-16-5-7-17(8-6-16)26-18-9-13-22(14-10-18)20(24)11-15-21-12-3-2-4-19(21)23/h5-8,18H,2-4,9-15H2,1H3.
What are the key properties of 1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one?
1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one has a molecular weight of 360.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one is sourced from PubChem (CID 70708600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).