1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone

C24H25NO — CID 22247948

IUPAC1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone
SMILESO=C(Cc1cccc2ccccc12)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H25NO/c26-24(17-22-11-6-10-20-9-4-5-12-23(20)22)21-13-15-25(16-14-21)18-19-7-2-1-3-8-19/h1-12,21H,13-18H2
InChIKeyVUGMCAOFJYXBOH-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.86
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone

1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone (PubChem CID 22247948) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone
PubChem CID22247948
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone
SMILESO=C(Cc1cccc2ccccc12)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H25NO/c26-24(17-22-11-6-10-20-9-4-5-12-23(20)22)21-13-15-25(16-14-21)18-19-7-2-1-3-8-19/h1-12,21H,13-18H2
InChIKeyVUGMCAOFJYXBOH-UHFFFAOYSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22247923
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-(1-benzylpiperidin-4-yl)butane-1,3-dione
CID 82665728
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 17471908
1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 65393715
1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone
CID 142816425
1-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroethanone
CID 164769335
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone (CID 22247948) is 1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone is O=C(Cc1cccc2ccccc12)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone?
The InChIKey is VUGMCAOFJYXBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c26-24(17-22-11-6-10-20-9-4-5-12-23(20)22)21-13-15-25(16-14-21)18-19-7-2-1-3-8-19/h1-12,21H,13-18H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone?
1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone has a molecular weight of 343.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 22247948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).