1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide

C28H34N2O2 — CID 155982910

IUPAC1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C28H34N2O2/c1-3-16-29-27(32)28(14-17-30(18-15-28)26(31)24-7-5-8-24)20-22-10-12-23(13-11-22)25-9-4-6-21(2)19-25/h3-4,6,9-13,19,24H,1,5,7-8,14-18,20H2,2H3,(H,29,32)
InChIKeyMEWHYTVZTSRQBH-UHFFFAOYSA-N
MW430.59 g/mol
LogP4.92
Rot. Bonds7

About 1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide

1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 155982910) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID155982910
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C28H34N2O2/c1-3-16-29-27(32)28(14-17-30(18-15-28)26(31)24-7-5-8-24)20-22-10-12-23(13-11-22)25-9-4-6-21(2)19-25/h3-4,6,9-13,19,24H,1,5,7-8,14-18,20H2,2H3,(H,29,32)
InChIKeyMEWHYTVZTSRQBH-UHFFFAOYSA-N
XLogP4.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide (CID 155982910) is 1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is MEWHYTVZTSRQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-3-16-29-27(32)28(14-17-30(18-15-28)26(31)24-7-5-8-24)20-22-10-12-23(13-11-22)25-9-4-6-21(2)19-25/h3-4,6,9-13,19,24H,1,5,7-8,14-18,20H2,2H3,(H,29,32).
What are the key properties of 1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 430.59 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-4-[[4-(3-methylphenyl)phenyl]methyl]-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 155982910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).