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

C23H33N3O5 — CID 55954329

IUPAC1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)C(C)NC(=O)C=Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C23H33N3O5/c1-17(25-21(27)10-7-18-5-8-20(31-3)9-6-18)23(29)26-14-11-19(12-15-26)22(28)24-13-4-16-30-2/h5-10,17,19H,4,11-16H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyHYFSBMXWYBGDNM-UHFFFAOYSA-N
MW431.53 g/mol
LogP1.60
Rot. Bonds10

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

1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 55954329) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID55954329
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Name1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)C(C)NC(=O)C=Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C23H33N3O5/c1-17(25-21(27)10-7-18-5-8-20(31-3)9-6-18)23(29)26-14-11-19(12-15-26)22(28)24-13-4-16-30-2/h5-10,17,19H,4,11-16H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyHYFSBMXWYBGDNM-UHFFFAOYSA-N
XLogP1.60
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951132
1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809815
(E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 18161234
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005367
1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
(E)-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51166216
1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974467
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-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide
CID 95322166

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 55954329) is 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)C(C)NC(=O)C=Cc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is HYFSBMXWYBGDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-17(25-21(27)10-7-18-5-8-20(31-3)9-6-18)23(29)26-14-11-19(12-15-26)22(28)24-13-4-16-30-2/h5-10,17,19H,4,11-16H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 431.53 g/mol, XLogP of 1.60, 10 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-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55954329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).