N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide

C18H26N2O2 — CID 99590993

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCCC2CCN(C)CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-3-14-22-17-6-4-16(5-7-17)18(21)19-11-8-15-9-12-20(2)13-10-15/h3-7,15H,1,8-14H2,2H3,(H,19,21)
InChIKeyCURMVBBZEVMWSB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide

N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide (PubChem CID 99590993) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide
PubChem CID99590993
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCCC2CCN(C)CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-3-14-22-17-6-4-16(5-7-17)18(21)19-11-8-15-9-12-20(2)13-10-15/h3-7,15H,1,8-14H2,2H3,(H,19,21)
InChIKeyCURMVBBZEVMWSB-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.71
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

4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide
CID 55570164
tert-butyl 4-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]piperazine-1-carboxylate
CID 55990649
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523
3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99702429
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114516650
N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119393853
N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide
CID 115627677
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenoxyacetamide
CID 50875305
(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 2995586

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide (CID 99590993) is N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCCC2CCN(C)CC2)cc1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide?
The InChIKey is CURMVBBZEVMWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-14-22-17-6-4-16(5-7-17)18(21)19-11-8-15-9-12-20(2)13-10-15/h3-7,15H,1,8-14H2,2H3,(H,19,21).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide?
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide has a molecular weight of 302.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 99590993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).