[(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane

C25H35NO2 — CID 145118967

IUPAC[(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane
SMILESCC.CCc1c(OC)ccc2cc(C(=O)[C@H]3CCCN(C4CCC4)C3)ccc12
InChIInChI=1S/C23H29NO2.C2H6/c1-3-20-21-11-9-17(14-16(21)10-12-22(20)26-2)23(25)18-6-5-13-24(15-18)19-7-4-8-19;1-2/h9-12,14,18-19H,3-8,13,15H2,1-2H3;1-2H3/t18-;/m0./s1
InChIKeyCRWXURDGKTVPDB-FERBBOLQSA-N
MW381.56 g/mol
LogP5.88
Rot. Bonds5

About [(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane

[(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane (PubChem CID 145118967) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is [(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane.

Molecular Properties

Compound Name[(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane
PubChem CID145118967
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Name[(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane
SMILESCC.CCc1c(OC)ccc2cc(C(=O)[C@H]3CCCN(C4CCC4)C3)ccc12
InChIInChI=1S/C23H29NO2.C2H6/c1-3-20-21-11-9-17(14-16(21)10-12-22(20)26-2)23(25)18-6-5-13-24(15-18)19-7-4-8-19;1-2/h9-12,14,18-19H,3-8,13,15H2,1-2H3;1-2H3/t18-;/m0./s1
InChIKeyCRWXURDGKTVPDB-FERBBOLQSA-N
XLogP5.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane with MolForge

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Related Compounds

2-[6-[(3S,4S)-1-cyclobutyl-4-methylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 121479197
2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 121479119
[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone
CID 121479074
(1-cyclohexylpiperidin-3-yl)-[5-[3-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]cyclobutyl]-6-methoxynaphthalen-2-yl]methanone
CID 134203197
[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 25279925
3-(1-cyclobutylpiperidine-3-carbonyl)naphthalene-1-carboxamide;(1-cyclobutylpiperidin-3-yl)-(6-methoxy-5-methylnaphthalen-2-yl)methanone;3-(1-cyclopentylpiperidine-3-carbonyl)naphthalene-1-carboxamide;(1-cyclopentylpiperidin-3-yl)-(6-methoxy-5-methylnaphthalen-2-yl)methanone;2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalene-1-carboxamide;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone;(6-methoxy-5-methylnaphthalen-2-yl)-(1-propylpiperidin-3-yl)methanone
CID 159171276
[1-[3-[[4-[3-[2-[[4-cyclobutyl-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]phenyl]cyclobutyl]-2-(6-methoxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]cyclobutyl]piperidin-3-yl]-[5-(hydroxymethyl)-6-methoxynaphthalen-2-yl]methanone
CID 134203206
2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 160722757
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
(1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone
CID 145118573
(3,4-dimethoxyphenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25379647

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane?
The IUPAC name of [(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane (CID 145118967) is [(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane.
What is the SMILES notation for [(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane?
The canonical SMILES for [(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane is CC.CCc1c(OC)ccc2cc(C(=O)[C@H]3CCCN(C4CCC4)C3)ccc12.
What is the InChIKey of [(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane?
The InChIKey is CRWXURDGKTVPDB-FERBBOLQSA-N. The full InChI is InChI=1S/C23H29NO2.C2H6/c1-3-20-21-11-9-17(14-16(21)10-12-22(20)26-2)23(25)18-6-5-13-24(15-18)19-7-4-8-19;1-2/h9-12,14,18-19H,3-8,13,15H2,1-2H3;1-2H3/t18-;/m0./s1.
What are the key properties of [(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane?
[(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane has a molecular weight of 381.56 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane is sourced from PubChem (CID 145118967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).