N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride

C16H23ClN2O2 — CID 120599440

IUPACN-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccccc1C(=O)NC1CCNC(C)C1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-3-10-20-15-7-5-4-6-14(15)16(19)18-13-8-9-17-12(2)11-13;/h3-7,12-13,17H,1,8-11H2,2H3,(H,18,19);1H
InChIKeyKIYIYUDXZPMEAC-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.54
Rot. Bonds5

About N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride

N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride (PubChem CID 120599440) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride
PubChem CID120599440
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccccc1C(=O)NC1CCNC(C)C1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-3-10-20-15-7-5-4-6-14(15)16(19)18-13-8-9-17-12(2)11-13;/h3-7,12-13,17H,1,8-11H2,2H3,(H,18,19);1H
InChIKeyKIYIYUDXZPMEAC-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120599845
N-piperidin-4-yl-2-prop-2-enoxybenzamide
CID 119390242
3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032902
N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride
CID 119478882
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831789
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide
CID 104957272
5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120600434
N-(2-methylpiperidin-4-yl)-2-naphthalen-1-yloxyacetamide;hydrochloride
CID 120599567
N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120600879
cis-(1S,3R)-3-[(2-ethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677160

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride (CID 120599440) is N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride is C=CCOc1ccccc1C(=O)NC1CCNC(C)C1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride?
The InChIKey is KIYIYUDXZPMEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-3-10-20-15-7-5-4-6-14(15)16(19)18-13-8-9-17-12(2)11-13;/h3-7,12-13,17H,1,8-11H2,2H3,(H,18,19);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride is sourced from PubChem (CID 120599440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).