N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide

C26H32N2O4 — CID 55982263

IUPACN-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C26H32N2O4/c1-3-16-28(19-21-11-13-23(31-2)14-12-21)26(30)22-8-7-17-27(20-22)25(29)15-18-32-24-9-5-4-6-10-24/h3-6,9-14,22H,1,7-8,15-20H2,2H3
InChIKeyVZSCRVXQQXEBOH-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.92
Rot. Bonds10

About N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 55982263) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID55982263
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C26H32N2O4/c1-3-16-28(19-21-11-13-23(31-2)14-12-21)26(30)22-8-7-17-27(20-22)25(29)15-18-32-24-9-5-4-6-10-24/h3-6,9-14,22H,1,7-8,15-20H2,2H3
InChIKeyVZSCRVXQQXEBOH-UHFFFAOYSA-N
XLogP3.92
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55967324
N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55993592
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553019
N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide
CID 119443941
N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967191
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride
CID 119299361
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 119741679
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119377741

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide (CID 55982263) is N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide is C=CCN(Cc1ccc(OC)cc1)C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is VZSCRVXQQXEBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-3-16-28(19-21-11-13-23(31-2)14-12-21)26(30)22-8-7-17-27(20-22)25(29)15-18-32-24-9-5-4-6-10-24/h3-6,9-14,22H,1,7-8,15-20H2,2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 436.55 g/mol, XLogP of 3.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 55982263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).