1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone

C23H30N2O2 — CID 1333542

IUPAC1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C23H30N2O2/c26-23(18-27-22-10-9-19-7-3-4-8-20(19)17-22)25-15-11-21(12-16-25)24-13-5-1-2-6-14-24/h3-4,7-10,17,21H,1-2,5-6,11-16,18H2
InChIKeyWOQNBHYPWCLOTO-UHFFFAOYSA-N
MW366.50 g/mol
LogP4.09
Rot. Bonds4

About 1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone

1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone (PubChem CID 1333542) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
PubChem CID1333542
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCC(N2CCCCCC2)CC1
InChIInChI=1S/C23H30N2O2/c26-23(18-27-22-10-9-19-7-3-4-8-20(19)17-22)25-15-11-21(12-16-25)24-13-5-1-2-6-14-24/h3-4,7-10,17,21H,1-2,5-6,11-16,18H2
InChIKeyWOQNBHYPWCLOTO-UHFFFAOYSA-N
XLogP4.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone with MolForge

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
CID 2880120
2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868491
1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153963
4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 51090889
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290
1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 7354673
1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone;oxalic acid
CID 17369402
1-(azepan-1-yl)-2-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-ium-1-yl]ethanone
CID 9209259
2-[4-(4-methylphenoxy)phenoxy]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 56551157
ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 142232731
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone (CID 1333542) is 1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone is O=C(COc1ccc2ccccc2c1)N1CCC(N2CCCCCC2)CC1.
What is the InChIKey of 1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone?
The InChIKey is WOQNBHYPWCLOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-23(18-27-22-10-9-19-7-3-4-8-20(19)17-22)25-15-11-21(12-16-25)24-13-5-1-2-6-14-24/h3-4,7-10,17,21H,1-2,5-6,11-16,18H2.
What are the key properties of 1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone?
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone has a molecular weight of 366.50 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 1333542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).