4-methylidene-1-phenylpiperidin-2-one;2-methylpropane

C16H23NO — CID 167704846

IUPAC4-methylidene-1-phenylpiperidin-2-one;2-methylpropane
SMILESC=C1CCN(c2ccccc2)C(=O)C1.CC(C)C
InChIInChI=1S/C12H13NO.C4H10/c1-10-7-8-13(12(14)9-10)11-5-3-2-4-6-11;1-4(2)3/h2-6H,1,7-9H2;4H,1-3H3
InChIKeyYYFNAYHNIMWXKY-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.03
Rot. Bonds1

About 4-methylidene-1-phenylpiperidin-2-one;2-methylpropane

4-methylidene-1-phenylpiperidin-2-one;2-methylpropane (PubChem CID 167704846) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-methylidene-1-phenylpiperidin-2-one;2-methylpropane.

Molecular Properties

Compound Name4-methylidene-1-phenylpiperidin-2-one;2-methylpropane
PubChem CID167704846
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-methylidene-1-phenylpiperidin-2-one;2-methylpropane
SMILESC=C1CCN(c2ccccc2)C(=O)C1.CC(C)C
InChIInChI=1S/C12H13NO.C4H10/c1-10-7-8-13(12(14)9-10)11-5-3-2-4-6-11;1-4(2)3/h2-6H,1,7-9H2;4H,1-3H3
InChIKeyYYFNAYHNIMWXKY-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one
CID 167627647
1,4-diphenyl-1,4-diazepane-5,7-dione
CID 13379326
1-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
CID 60836275
carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one
CID 158537394
4-methylidene-1-phenylpiperidine
CID 58902724
1-[4-(7,7-dimethyl-2-oxooctoxy)phenyl]-4-methylidenepiperidin-2-one
CID 167629095
4-methylidene-1-(2-methylpropyl)piperidin-2-one
CID 89380610
5-phenyl-2-propan-2-yl-1,3,5-thiadiazinan-4-one
CID 141143649
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione
CID 60837294
3-phenyl-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 2812854
4-phenylthiomorpholin-3-one
CID 70476130
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-phenylpiperidin-2-one;2-methylpropane?
The IUPAC name of 4-methylidene-1-phenylpiperidin-2-one;2-methylpropane (CID 167704846) is 4-methylidene-1-phenylpiperidin-2-one;2-methylpropane.
What is the SMILES notation for 4-methylidene-1-phenylpiperidin-2-one;2-methylpropane?
The canonical SMILES for 4-methylidene-1-phenylpiperidin-2-one;2-methylpropane is C=C1CCN(c2ccccc2)C(=O)C1.CC(C)C.
What is the InChIKey of 4-methylidene-1-phenylpiperidin-2-one;2-methylpropane?
The InChIKey is YYFNAYHNIMWXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.C4H10/c1-10-7-8-13(12(14)9-10)11-5-3-2-4-6-11;1-4(2)3/h2-6H,1,7-9H2;4H,1-3H3.
What are the key properties of 4-methylidene-1-phenylpiperidin-2-one;2-methylpropane?
4-methylidene-1-phenylpiperidin-2-one;2-methylpropane has a molecular weight of 245.37 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-phenylpiperidin-2-one;2-methylpropane is sourced from PubChem (CID 167704846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).