1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone

C25H25NO2 — CID 42565190

IUPAC1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CN2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)c1
InChIInChI=1S/C25H25NO2/c1-18(27)21-10-4-7-19(15-21)16-26-14-6-11-22(17-26)25(28)24-13-5-9-20-8-2-3-12-23(20)24/h2-5,7-10,12-13,15,22H,6,11,14,16-17H2,1H3/t22-/m1/s1
InChIKeyZPOJAJDNXPYZCB-JOCHJYFZSA-N
MW371.48 g/mol
LogP5.14
Rot. Bonds5

About 1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone

1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone (PubChem CID 42565190) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone
PubChem CID42565190
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CN2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)c1
InChIInChI=1S/C25H25NO2/c1-18(27)21-10-4-7-19(15-21)16-26-14-6-11-22(17-26)25(28)24-13-5-9-20-8-2-3-12-23(20)24/h2-5,7-10,12-13,15,22H,6,11,14,16-17H2,1H3/t22-/m1/s1
InChIKeyZPOJAJDNXPYZCB-JOCHJYFZSA-N
XLogP5.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 25453186
[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone
CID 45220644
N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43924471
[1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 45202126
1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone
CID 45214467
N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide
CID 45170651
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
[(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone
CID 42357685
3-methyl-1-[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]but-2-en-1-one
CID 25372306
(2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
CID 45183381
3-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]methyl]benzoic acid
CID 122028809
ethyl 4-[[(3S)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate
CID 25286557

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone?
The IUPAC name of 1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone (CID 42565190) is 1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone is CC(=O)c1cccc(CN2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)c1.
What is the InChIKey of 1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone?
The InChIKey is ZPOJAJDNXPYZCB-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H25NO2/c1-18(27)21-10-4-7-19(15-21)16-26-14-6-11-22(17-26)25(28)24-13-5-9-20-8-2-3-12-23(20)24/h2-5,7-10,12-13,15,22H,6,11,14,16-17H2,1H3/t22-/m1/s1.
What are the key properties of 1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone?
1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone has a molecular weight of 371.48 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 42565190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).