[4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone

C25H32N2O2 — CID 145118733

IUPAC[4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)C3CN(C4CCC4)CCN3CC3CCC3)ccc2c1
InChIInChI=1S/C25H32N2O2/c1-29-23-11-10-19-14-21(9-8-20(19)15-23)25(28)24-17-26(22-6-3-7-22)12-13-27(24)16-18-4-2-5-18/h8-11,14-15,18,22,24H,2-7,12-13,16-17H2,1H3
InChIKeyHIYRDSMRIMVARO-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.37
Rot. Bonds6

About [4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone

[4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone (PubChem CID 145118733) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is [4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone
PubChem CID145118733
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name[4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)C3CN(C4CCC4)CCN3CC3CCC3)ccc2c1
InChIInChI=1S/C25H32N2O2/c1-29-23-11-10-19-14-21(9-8-20(19)15-23)25(28)24-17-26(22-6-3-7-22)12-13-27(24)16-18-4-2-5-18/h8-11,14-15,18,22,24H,2-7,12-13,16-17H2,1H3
InChIKeyHIYRDSMRIMVARO-UHFFFAOYSA-N
XLogP4.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479204
[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479211
[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]-(6-methylnaphthalen-2-yl)methanone
CID 138739971
[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
[(3S,4S)-1-cyclobutyl-4-phenylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479259
[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479208
(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
[1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479056
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322
(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 172914172
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

Frequently Asked Questions

What is the IUPAC name of [4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone?
The IUPAC name of [4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone (CID 145118733) is [4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for [4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for [4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone is COc1ccc2cc(C(=O)C3CN(C4CCC4)CCN3CC3CCC3)ccc2c1.
What is the InChIKey of [4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone?
The InChIKey is HIYRDSMRIMVARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-29-23-11-10-19-14-21(9-8-20(19)15-23)25(28)24-17-26(22-6-3-7-22)12-13-27(24)16-18-4-2-5-18/h8-11,14-15,18,22,24H,2-7,12-13,16-17H2,1H3.
What are the key properties of [4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone?
[4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone has a molecular weight of 392.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 145118733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).