2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide

C23H34N4O4 — CID 55658378

IUPAC2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
SMILESCCCNC(=O)CN1CCC(NC(=O)C(C)NC(=O)/C=C/c2ccc(OC)cc2)CC1
InChIInChI=1S/C23H34N4O4/c1-4-13-24-22(29)16-27-14-11-19(12-15-27)26-23(30)17(2)25-21(28)10-7-18-5-8-20(31-3)9-6-18/h5-10,17,19H,4,11-16H2,1-3H3,(H,24,29)(H,25,28)(H,26,30)/b10-7+
InChIKeyCGEQACLELLSRFW-JXMROGBWSA-N
MW430.55 g/mol
LogP1.32
Rot. Bonds10

About 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide

2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide (PubChem CID 55658378) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
PubChem CID55658378
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
SMILESCCCNC(=O)CN1CCC(NC(=O)C(C)NC(=O)/C=C/c2ccc(OC)cc2)CC1
InChIInChI=1S/C23H34N4O4/c1-4-13-24-22(29)16-27-14-11-19(12-15-27)26-23(30)17(2)25-21(28)10-7-18-5-8-20(31-3)9-6-18/h5-10,17,19H,4,11-16H2,1-3H3,(H,24,29)(H,25,28)(H,26,30)/b10-7+
InChIKeyCGEQACLELLSRFW-JXMROGBWSA-N
XLogP1.32
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(1-propylpiperidin-4-yl)propanamide
CID 102603957
N-[3-(cyclohexylamino)-3-oxopropyl]-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanamide
CID 55951186
N-cyclopropyl-4-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
CID 55490185
2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide
CID 75125584
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate
CID 55326576
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanamide
CID 55521357
(2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide
CID 7993031
N-[(4-methoxyphenyl)methyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 18162307
2-[4-[[N-ethyl-N'-[2-hydroxy-2-(4-methoxyphenyl)ethyl]carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide
CID 111991151
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[2-(2-methylcyclohexyl)oxyethyl]propanamide
CID 55717413
4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 78868483
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide (CID 55658378) is 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide is CCCNC(=O)CN1CCC(NC(=O)C(C)NC(=O)/C=C/c2ccc(OC)cc2)CC1.
What is the InChIKey of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide?
The InChIKey is CGEQACLELLSRFW-JXMROGBWSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-4-13-24-22(29)16-27-14-11-19(12-15-27)26-23(30)17(2)25-21(28)10-7-18-5-8-20(31-3)9-6-18/h5-10,17,19H,4,11-16H2,1-3H3,(H,24,29)(H,25,28)(H,26,30)/b10-7+.
What are the key properties of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide?
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide has a molecular weight of 430.55 g/mol, XLogP of 1.32, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 55658378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).