3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide

C17H24N2O — CID 75538560

IUPAC3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
SMILESC=CCN1CCC(NC(=O)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C17H24N2O/c1-4-7-19-8-5-16(6-9-19)18-17(20)15-11-13(2)10-14(3)12-15/h4,10-12,16H,1,5-9H2,2-3H3,(H,18,20)
InChIKeySXVAUFKROSSHGI-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.68
Rot. Bonds4

About 3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide

3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide (PubChem CID 75538560) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
PubChem CID75538560
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
SMILESC=CCN1CCC(NC(=O)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C17H24N2O/c1-4-7-19-8-5-16(6-9-19)18-17(20)15-11-13(2)10-14(3)12-15/h4,10-12,16H,1,5-9H2,2-3H3,(H,18,20)
InChIKeySXVAUFKROSSHGI-UHFFFAOYSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid
CID 167783469
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126
N-[1-(cyanomethyl)piperidin-4-yl]-3,5-dimethylbenzamide
CID 63625203
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 91938316
3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 51093731
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 43652880
N-[4-(ethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 43653349
2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
CID 119947092
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91958726

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide (CID 75538560) is 3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide is C=CCN1CCC(NC(=O)c2cc(C)cc(C)c2)CC1.
What is the InChIKey of 3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
The InChIKey is SXVAUFKROSSHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-7-19-8-5-16(6-9-19)18-17(20)15-11-13(2)10-14(3)12-15/h4,10-12,16H,1,5-9H2,2-3H3,(H,18,20).
What are the key properties of 3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide has a molecular weight of 272.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide is sourced from PubChem (CID 75538560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).