1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C25H30N4O4 — CID 55809815

IUPAC1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(C=CC(=O)NC(C)C(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C25H30N4O4/c1-17-4-10-22(26-16-17)28-24(31)20-12-14-29(15-13-20)25(32)18(2)27-23(30)11-7-19-5-8-21(33-3)9-6-19/h4-11,16,18,20H,12-15H2,1-3H3,(H,27,30)(H,26,28,31)
InChIKeyYLTUIAICUPNSJE-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.79
Rot. Bonds7

About 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55809815) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55809815
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(C=CC(=O)NC(C)C(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C25H30N4O4/c1-17-4-10-22(26-16-17)28-24(31)20-12-14-29(15-13-20)25(32)18(2)27-23(30)11-7-19-5-8-21(33-3)9-6-19/h4-11,16,18,20H,12-15H2,1-3H3,(H,27,30)(H,26,28,31)
InChIKeyYLTUIAICUPNSJE-UHFFFAOYSA-N
XLogP2.79
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951132
(E)-3-(4-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 18160171
1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55954329
(E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 18161234
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide
CID 78878117
N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide
CID 55993439
(E)-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51166216
3-(4-methoxyphenyl)-N-[1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]prop-2-enamide
CID 55477911
ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate
CID 51162077
1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809688
N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 55815413
1-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921796

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55809815) is 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is COc1ccc(C=CC(=O)NC(C)C(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1.
What is the InChIKey of 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is YLTUIAICUPNSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-17-4-10-22(26-16-17)28-24(31)20-12-14-29(15-13-20)25(32)18(2)27-23(30)11-7-19-5-8-21(33-3)9-6-19/h4-11,16,18,20H,12-15H2,1-3H3,(H,27,30)(H,26,28,31).
What are the key properties of 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55809815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).