cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene

C26H37NO2 — CID 177314037

IUPACcyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene
SMILESC1CCCCC1.C=CC.COc1ccc2cc(C(=O)C3CCCNC3)ccc2c1
InChIInChI=1S/C17H19NO2.C6H12.C3H6/c1-20-16-7-6-12-9-14(5-4-13(12)10-16)17(19)15-3-2-8-18-11-15;1-2-4-6-5-3-1;1-3-2/h4-7,9-10,15,18H,2-3,8,11H2,1H3;1-6H2;3H,1H2,2H3
InChIKeyACTAQSMHQHKXFC-UHFFFAOYSA-N
MW395.59 g/mol
LogP6.56
Rot. Bonds3

About cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene

cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene (PubChem CID 177314037) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene.

Molecular Properties

Compound Namecyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene
PubChem CID177314037
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Namecyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene
SMILESC1CCCCC1.C=CC.COc1ccc2cc(C(=O)C3CCCNC3)ccc2c1
InChIInChI=1S/C17H19NO2.C6H12.C3H6/c1-20-16-7-6-12-9-14(5-4-13(12)10-16)17(19)15-3-2-8-18-11-15;1-2-4-6-5-3-1;1-3-2/h4-7,9-10,15,18H,2-3,8,11H2,1H3;1-6H2;3H,1H2,2H3
InChIKeyACTAQSMHQHKXFC-UHFFFAOYSA-N
XLogP6.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone
CID 177314079
N-cyclohexylpyridine-3-carboxamide;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone
CID 177314069
N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine
CID 177313970
(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 105494724
(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82552052
(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone
CID 82341467
(3-bromo-4-fluorophenyl)-piperidin-3-ylmethanone
CID 79736726
(3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82550752
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride
CID 119299361
3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one
CID 79638807

Frequently Asked Questions

What is the IUPAC name of cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene?
The IUPAC name of cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene (CID 177314037) is cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene.
What is the SMILES notation for cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene?
The canonical SMILES for cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene is C1CCCCC1.C=CC.COc1ccc2cc(C(=O)C3CCCNC3)ccc2c1.
What is the InChIKey of cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene?
The InChIKey is ACTAQSMHQHKXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.C6H12.C3H6/c1-20-16-7-6-12-9-14(5-4-13(12)10-16)17(19)15-3-2-8-18-11-15;1-2-4-6-5-3-1;1-3-2/h4-7,9-10,15,18H,2-3,8,11H2,1H3;1-6H2;3H,1H2,2H3.
What are the key properties of cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene?
cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene has a molecular weight of 395.59 g/mol, XLogP of 6.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene is sourced from PubChem (CID 177314037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).