[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone

C25H33NO2 — CID 121479211

IUPAC[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)[C@@H]3CN(C4CCC4)CC[C@@H]3CC(C)C)ccc2c1
InChIInChI=1S/C25H33NO2/c1-17(2)13-20-11-12-26(22-5-4-6-22)16-24(20)25(27)21-8-7-19-15-23(28-3)10-9-18(19)14-21/h7-10,14-15,17,20,22,24H,4-6,11-13,16H2,1-3H3/t20-,24-/m1/s1
InChIKeyAOWGSMLSSRLGTA-HYBUGGRVSA-N
MW379.54 g/mol
LogP5.57
Rot. Bonds6

About [(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone

[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (PubChem CID 121479211) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is [(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
PubChem CID121479211
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)[C@@H]3CN(C4CCC4)CC[C@@H]3CC(C)C)ccc2c1
InChIInChI=1S/C25H33NO2/c1-17(2)13-20-11-12-26(22-5-4-6-22)16-24(20)25(27)21-8-7-19-15-23(28-3)10-9-18(19)14-21/h7-10,14-15,17,20,22,24H,4-6,11-13,16H2,1-3H3/t20-,24-/m1/s1
InChIKeyAOWGSMLSSRLGTA-HYBUGGRVSA-N
XLogP5.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone with MolForge

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Related Compounds

[(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479204
acetylene;[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-cyclobutylpiperidine;6-methoxynaphthalene-2-carbaldehyde;2-methylpropane;propane
CID 145118679
[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479208
[(3S,4S)-1-cyclobutyl-4-phenylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479259
[4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 145118733
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
2-[6-[(3S,4S)-1-cyclobutyl-4-methylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 121479197
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479157
(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 172914172
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The IUPAC name of [(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (CID 121479211) is [(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for [(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for [(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is COc1ccc2cc(C(=O)[C@@H]3CN(C4CCC4)CC[C@@H]3CC(C)C)ccc2c1.
What is the InChIKey of [(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The InChIKey is AOWGSMLSSRLGTA-HYBUGGRVSA-N. The full InChI is InChI=1S/C25H33NO2/c1-17(2)13-20-11-12-26(22-5-4-6-22)16-24(20)25(27)21-8-7-19-15-23(28-3)10-9-18(19)14-21/h7-10,14-15,17,20,22,24H,4-6,11-13,16H2,1-3H3/t20-,24-/m1/s1.
What are the key properties of [(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone has a molecular weight of 379.54 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 121479211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).