N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide

C16H22N2O2 — CID 119323072

IUPACN-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide
SMILESC=CCOc1ccccc1CNC(=O)C1CCNCC1
InChIInChI=1S/C16H22N2O2/c1-2-11-20-15-6-4-3-5-14(15)12-18-16(19)13-7-9-17-10-8-13/h2-6,13,17H,1,7-12H2,(H,18,19)
InChIKeyUDVHNUHYMVAUDY-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.87
Rot. Bonds6

About N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide

N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 119323072) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID119323072
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide
SMILESC=CCOc1ccccc1CNC(=O)C1CCNCC1
InChIInChI=1S/C16H22N2O2/c1-2-11-20-15-6-4-3-5-14(15)12-18-16(19)13-7-9-17-10-8-13/h2-6,13,17H,1,7-12H2,(H,18,19)
InChIKeyUDVHNUHYMVAUDY-UHFFFAOYSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.87
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-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736957
9-amino-N-[(2-prop-2-enoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989577
N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119320245
2-[(2-prop-2-enoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184878
N-benzylpiperidine-4-carboxamide
CID 3868064
N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119303115
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 111116921
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
N-piperidin-4-yl-2-prop-2-enoxybenzamide
CID 119390242
N-[2-[[N-ethyl-N'-[(2-prop-2-enoxyphenyl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111556131
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 111117251

Frequently Asked Questions

What is the IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide (CID 119323072) is N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide is C=CCOc1ccccc1CNC(=O)C1CCNCC1.
What is the InChIKey of N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is UDVHNUHYMVAUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-11-20-15-6-4-3-5-14(15)12-18-16(19)13-7-9-17-10-8-13/h2-6,13,17H,1,7-12H2,(H,18,19).
What are the key properties of N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide?
N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119323072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).