N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide

C22H26N2O2 — CID 42849674

IUPACN-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN1CC(C(=O)Nc2cccc(OC)c2)CCC1c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-3-14-24-16-18(12-13-21(24)17-8-5-4-6-9-17)22(25)23-19-10-7-11-20(15-19)26-2/h3-11,15,18,21H,1,12-14,16H2,2H3,(H,23,25)
InChIKeyJZYWHQOUZLKYSH-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.27
Rot. Bonds6

About N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide

N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide (PubChem CID 42849674) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide
PubChem CID42849674
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN1CC(C(=O)Nc2cccc(OC)c2)CCC1c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-3-14-24-16-18(12-13-21(24)17-8-5-4-6-9-17)22(25)23-19-10-7-11-20(15-19)26-2/h3-11,15,18,21H,1,12-14,16H2,2H3,(H,23,25)
InChIKeyJZYWHQOUZLKYSH-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.27
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

N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide
CID 42849671
N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46071992
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
(3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 92984850
N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
CID 42868356
1-benzyl-N-(2,4-dimethoxyphenyl)-6-(4-fluorophenyl)piperidine-3-carboxamide
CID 42870440
(3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 129426509
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151046
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42865487
4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 109147563

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide (CID 42849674) is N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide is C=CCN1CC(C(=O)Nc2cccc(OC)c2)CCC1c1ccccc1.
What is the InChIKey of N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is JZYWHQOUZLKYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-14-24-16-18(12-13-21(24)17-8-5-4-6-9-17)22(25)23-19-10-7-11-20(15-19)26-2/h3-11,15,18,21H,1,12-14,16H2,2H3,(H,23,25).
What are the key properties of N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide?
N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 42849674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).