3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one

C26H29NO2 — CID 10691634

IUPAC3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one
SMILESCOc1cc2ccccc2cc1C(=O)CCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29NO2/c1-29-26-18-23-10-6-5-9-22(23)17-24(26)25(28)12-11-20-13-15-27(16-14-20)19-21-7-3-2-4-8-21/h2-10,17-18,20H,11-16,19H2,1H3
InChIKeyKOROIYSPUPOESH-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.72
Rot. Bonds7

About 3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one

3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one (PubChem CID 10691634) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one
PubChem CID10691634
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one
SMILESCOc1cc2ccccc2cc1C(=O)CCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29NO2/c1-29-26-18-23-10-6-5-9-22(23)17-24(26)25(28)12-11-20-13-15-27(16-14-20)19-21-7-3-2-4-8-21/h2-10,17-18,20H,11-16,19H2,1H3
InChIKeyKOROIYSPUPOESH-UHFFFAOYSA-N
XLogP5.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one (CID 10691634) is 3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one is COc1cc2ccccc2cc1C(=O)CCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one?
The InChIKey is KOROIYSPUPOESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-29-26-18-23-10-6-5-9-22(23)17-24(26)25(28)12-11-20-13-15-27(16-14-20)19-21-7-3-2-4-8-21/h2-10,17-18,20H,11-16,19H2,1H3.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one?
3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one has a molecular weight of 387.52 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-1-(3-methoxynaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 10691634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).