N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride

C17H25ClN2O2 — CID 119299361

IUPACN-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)C1CCCNC1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-3-11-19(17(20)15-5-4-10-18-12-15)13-14-6-8-16(21-2)9-7-14;/h3,6-9,15,18H,1,4-5,10-13H2,2H3;1H
InChIKeyOIGHQUQQEPYJAQ-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.63
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride

N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119299361) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride
PubChem CID119299361
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)C1CCCNC1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-3-11-19(17(20)15-5-4-10-18-12-15)13-14-6-8-16(21-2)9-7-14;/h3,6-9,15,18H,1,4-5,10-13H2,2H3;1H
InChIKeyOIGHQUQQEPYJAQ-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.63
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

3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 119741679
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770885
N-[(3-nitrophenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 119308773
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
(3R)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 103338846
(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81124371
N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 55982263
2-[piperidine-3-carbonyl(prop-2-enyl)amino]acetic acid
CID 79265013
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
N-ethyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60738708
N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 54873767
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride (CID 119299361) is N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride is C=CCN(Cc1ccc(OC)cc1)C(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is OIGHQUQQEPYJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-3-11-19(17(20)15-5-4-10-18-12-15)13-14-6-8-16(21-2)9-7-14;/h3,6-9,15,18H,1,4-5,10-13H2,2H3;1H.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride?
N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119299361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).