1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one

C18H17NO — CID 116825775

IUPAC1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one
SMILESO=C(C#CN1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C18H17NO/c20-18(11-14-19-12-4-1-5-13-19)17-10-6-8-15-7-2-3-9-16(15)17/h2-3,6-10H,1,4-5,12-13H2
InChIKeyJKNZQNAXFYUOFS-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.47
Rot. Bonds1

About 1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one

1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one (PubChem CID 116825775) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one
PubChem CID116825775
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one
SMILESO=C(C#CN1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C18H17NO/c20-18(11-14-19-12-4-1-5-13-19)17-10-6-8-15-7-2-3-9-16(15)17/h2-3,6-10H,1,4-5,12-13H2
InChIKeyJKNZQNAXFYUOFS-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylphenyl)-3-pyrrolidin-1-ylprop-2-yn-1-one
CID 116825668
1-phenyl-3-piperidin-1-ylprop-2-yn-1-one
CID 116825702
1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylprop-2-yn-1-one
CID 116825635
1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one
CID 54160942
1-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)prop-2-yn-1-one
CID 116825888
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
1-(2-methyl-5-propan-2-ylphenyl)-3-piperidin-1-ylprop-2-yn-1-one
CID 116825742
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976
[2-(chloromethyl)azepan-1-yl]-naphthalen-1-ylmethanone
CID 116639192

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one?
The IUPAC name of 1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one (CID 116825775) is 1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one.
What is the SMILES notation for 1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one?
The canonical SMILES for 1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one is O=C(C#CN1CCCCC1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one?
The InChIKey is JKNZQNAXFYUOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c20-18(11-14-19-12-4-1-5-13-19)17-10-6-8-15-7-2-3-9-16(15)17/h2-3,6-10H,1,4-5,12-13H2.
What are the key properties of 1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one?
1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one has a molecular weight of 263.34 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-piperidin-1-ylprop-2-yn-1-one is sourced from PubChem (CID 116825775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).