1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one

C18H21NO — CID 116563794

IUPAC1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one
SMILESO=C(CCC1CCCCN1)c1cccc2ccccc12
InChIInChI=1S/C18H21NO/c20-18(12-11-15-8-3-4-13-19-15)17-10-5-7-14-6-1-2-9-16(14)17/h1-2,5-7,9-10,15,19H,3-4,8,11-13H2
InChIKeySMSOJFFVMVHIPX-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.94
Rot. Bonds4

About 1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one

1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one (PubChem CID 116563794) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one
PubChem CID116563794
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one
SMILESO=C(CCC1CCCCN1)c1cccc2ccccc12
InChIInChI=1S/C18H21NO/c20-18(12-11-15-8-3-4-13-19-15)17-10-5-7-14-6-1-2-9-16(14)17/h1-2,5-7,9-10,15,19H,3-4,8,11-13H2
InChIKeySMSOJFFVMVHIPX-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one
CID 116563723
3-pyrrolidin-2-yl-1-(8-sulfanylquinolin-4-yl)propan-1-one
CID 158930235
1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid
CID 143873908
1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563575
2-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62210500
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
CID 116685103
1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563790
1-(2-methylphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563692
1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563552
1-hydroxy-N-(piperidin-2-ylmethyl)naphthalene-2-carboxamide
CID 43185174
3-piperidin-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62209973

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one (CID 116563794) is 1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one is O=C(CCC1CCCCN1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one?
The InChIKey is SMSOJFFVMVHIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c20-18(12-11-15-8-3-4-13-19-15)17-10-5-7-14-6-1-2-9-16(14)17/h1-2,5-7,9-10,15,19H,3-4,8,11-13H2.
What are the key properties of 1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one?
1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one has a molecular weight of 267.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 116563794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).