1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one

C19H23NO — CID 116594477

IUPAC1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one
SMILESCC(CC(=O)c1cccc2ccccc12)C1CCCNC1
InChIInChI=1S/C19H23NO/c1-14(16-8-5-11-20-13-16)12-19(21)18-10-4-7-15-6-2-3-9-17(15)18/h2-4,6-7,9-10,14,16,20H,5,8,11-13H2,1H3
InChIKeyYUDOAYACEIHUQU-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.05
Rot. Bonds4

About 1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one

1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one (PubChem CID 116594477) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one
PubChem CID116594477
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one
SMILESCC(CC(=O)c1cccc2ccccc12)C1CCCNC1
InChIInChI=1S/C19H23NO/c1-14(16-8-5-11-20-13-16)12-19(21)18-10-4-7-15-6-2-3-9-17(15)18/h2-4,6-7,9-10,14,16,20H,5,8,11-13H2,1H3
InChIKeyYUDOAYACEIHUQU-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-piperidin-3-ylethyl)naphthalene-1-carboxamide
CID 43523096
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667
1-(4-methyl-3-pyridinyl)-3-piperidin-3-ylbutan-1-one
CID 116594457
3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116594401
N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119671508
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
3-piperidin-3-ylbutanoic acid
CID 71691534
3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one
CID 116594349
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
CID 119687832
1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-3-ylbutan-1-one
CID 106764052
3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 119684708
N-(1,2-dihydroacenaphthylen-5-yl)-3-piperidin-3-ylbutanamide
CID 119697816

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one?
The IUPAC name of 1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one (CID 116594477) is 1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one.
What is the SMILES notation for 1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one?
The canonical SMILES for 1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one is CC(CC(=O)c1cccc2ccccc12)C1CCCNC1.
What is the InChIKey of 1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one?
The InChIKey is YUDOAYACEIHUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(16-8-5-11-20-13-16)12-19(21)18-10-4-7-15-6-2-3-9-17(15)18/h2-4,6-7,9-10,14,16,20H,5,8,11-13H2,1H3.
What are the key properties of 1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one?
1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one has a molecular weight of 281.40 g/mol, XLogP of 4.05, 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-3-ylbutan-1-one is sourced from PubChem (CID 116594477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).