N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride

C15H21ClN2O2 — CID 119303115

IUPACN-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride
SMILESC=CCOc1cccc(NC(=O)C2CCNCC2)c1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-2-10-19-14-5-3-4-13(11-14)17-15(18)12-6-8-16-9-7-12;/h2-5,11-12,16H,1,6-10H2,(H,17,18);1H
InChIKeyQUTUSOVQSJHQDK-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.61
Rot. Bonds5

About N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride

N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119303115) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119303115
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride
SMILESC=CCOc1cccc(NC(=O)C2CCNCC2)c1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-2-10-19-14-5-3-4-13(11-14)17-15(18)12-6-8-16-9-7-12;/h2-5,11-12,16H,1,6-10H2,(H,17,18);1H
InChIKeyQUTUSOVQSJHQDK-UHFFFAOYSA-N
XLogP2.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.61
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

N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119303125
N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide
CID 43708772
9-amino-N-(3-prop-2-enoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987346
N-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 25224295
N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 54794430
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 63005560
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide
CID 43925362
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452

Frequently Asked Questions

What is the IUPAC name of N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride (CID 119303115) is N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride is C=CCOc1cccc(NC(=O)C2CCNCC2)c1.Cl.
What is the InChIKey of N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is QUTUSOVQSJHQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-2-10-19-14-5-3-4-13(11-14)17-15(18)12-6-8-16-9-7-12;/h2-5,11-12,16H,1,6-10H2,(H,17,18);1H.
What are the key properties of N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride?
N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119303115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).