1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide

C24H29N3O3 — CID 46065416

IUPAC1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
SMILESC=CCNC(=O)C1CC(c2cccc(C)c2)CN(C(=O)Nc2cccc(OC)c2)C1
InChIInChI=1S/C24H29N3O3/c1-4-11-25-23(28)20-13-19(18-8-5-7-17(2)12-18)15-27(16-20)24(29)26-21-9-6-10-22(14-21)30-3/h4-10,12,14,19-20H,1,11,13,15-16H2,2-3H3,(H,25,28)(H,26,29)
InChIKeyFTDPXIPMRXOONC-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.94
Rot. Bonds6

About 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide

1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide (PubChem CID 46065416) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
PubChem CID46065416
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
SMILESC=CCNC(=O)C1CC(c2cccc(C)c2)CN(C(=O)Nc2cccc(OC)c2)C1
InChIInChI=1S/C24H29N3O3/c1-4-11-25-23(28)20-13-19(18-8-5-7-17(2)12-18)15-27(16-20)24(29)26-21-9-6-10-22(14-21)30-3/h4-10,12,14,19-20H,1,11,13,15-16H2,2-3H3,(H,25,28)(H,26,29)
InChIKeyFTDPXIPMRXOONC-UHFFFAOYSA-N
XLogP3.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.94
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

1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865431
(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 92995542
3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 46069425
3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42865487
1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide
CID 4998458
ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate
CID 42865473
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide
CID 42865494
(3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92999274
(3R,5S)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92999273
1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 42865383
(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996083

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide (CID 46065416) is 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide is C=CCNC(=O)C1CC(c2cccc(C)c2)CN(C(=O)Nc2cccc(OC)c2)C1.
What is the InChIKey of 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide?
The InChIKey is FTDPXIPMRXOONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-11-25-23(28)20-13-19(18-8-5-7-17(2)12-18)15-27(16-20)24(29)26-21-9-6-10-22(14-21)30-3/h4-10,12,14,19-20H,1,11,13,15-16H2,2-3H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide?
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 46065416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).