1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one

C27H37NO2 — CID 21431522

IUPAC1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
SMILESCOc1ccc2cc(C(C)C(=O)N3CCCCC3CCC3CCCCC3)ccc2c1
InChIInChI=1S/C27H37NO2/c1-20(22-12-13-24-19-26(30-2)16-14-23(24)18-22)27(29)28-17-7-6-10-25(28)15-11-21-8-4-3-5-9-21/h12-14,16,18-21,25H,3-11,15,17H2,1-2H3
InChIKeyRUFUXOVIDNMETR-UHFFFAOYSA-N
MW407.60 g/mol
LogP6.69
Rot. Bonds6

About 1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one

1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one (PubChem CID 21431522) has the molecular formula C27H37NO2 and a molecular weight of 407.60 g/mol. Its IUPAC name is 1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
PubChem CID21431522
Molecular FormulaC27H37NO2
Molecular Weight407.60 g/mol
Exact Mass407.28
IUPAC Name1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
SMILESCOc1ccc2cc(C(C)C(=O)N3CCCCC3CCC3CCCCC3)ccc2c1
InChIInChI=1S/C27H37NO2/c1-20(22-12-13-24-19-26(30-2)16-14-23(24)18-22)27(29)28-17-7-6-10-25(28)15-11-21-8-4-3-5-9-21/h12-14,16,18-21,25H,3-11,15,17H2,1-2H3
InChIKeyRUFUXOVIDNMETR-UHFFFAOYSA-N
XLogP6.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365455
(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18292919
(2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one
CID 99634273
1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119373948
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119410402
1-(3-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119378452
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119645365
(2R)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 25383842
1-(2,3-dimethylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 120571671
N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038
N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide
CID 49352371
[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 164936733

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one?
The IUPAC name of 1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one (CID 21431522) is 1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one.
What is the SMILES notation for 1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one?
The canonical SMILES for 1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one is COc1ccc2cc(C(C)C(=O)N3CCCCC3CCC3CCCCC3)ccc2c1.
What is the InChIKey of 1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one?
The InChIKey is RUFUXOVIDNMETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO2/c1-20(22-12-13-24-19-26(30-2)16-14-23(24)18-22)27(29)28-17-7-6-10-25(28)15-11-21-8-4-3-5-9-21/h12-14,16,18-21,25H,3-11,15,17H2,1-2H3.
What are the key properties of 1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one?
1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one has a molecular weight of 407.60 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclohexylethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 21431522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).