N,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide

C22H32N2O2 — CID 72908778

IUPACN,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide
SMILESCC(C)=CCCC1(C)CCC(=O)N(Cc2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C22H32N2O2/c1-17(2)8-7-12-22(3)13-11-20(25)24(16-22)15-18-9-6-10-19(14-18)21(26)23(4)5/h6,8-10,14H,7,11-13,15-16H2,1-5H3
InChIKeyKOXHSZCGQROUIR-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.26
Rot. Bonds6

About N,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide

N,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide (PubChem CID 72908778) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide
PubChem CID72908778
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide
SMILESCC(C)=CCCC1(C)CCC(=O)N(Cc2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C22H32N2O2/c1-17(2)8-7-12-22(3)13-11-20(25)24(16-22)15-18-9-6-10-19(14-18)21(26)23(4)5/h6,8-10,14H,7,11-13,15-16H2,1-5H3
InChIKeyKOXHSZCGQROUIR-UHFFFAOYSA-N
XLogP4.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.26
H-Bond Donors ≤ 50
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 N,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide (CID 72908778) is N,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide is CC(C)=CCCC1(C)CCC(=O)N(Cc2cccc(C(=O)N(C)C)c2)C1.
What is the InChIKey of N,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide?
The InChIKey is KOXHSZCGQROUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-17(2)8-7-12-22(3)13-11-20(25)24(16-22)15-18-9-6-10-19(14-18)21(26)23(4)5/h6,8-10,14H,7,11-13,15-16H2,1-5H3.
What are the key properties of N,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide?
N,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide has a molecular weight of 356.51 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 72908778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).