N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide

C19H28N4O3 — CID 55470324

IUPACN-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
SMILESC=CCNC(=O)CN1CCN(C(C)C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H28N4O3/c1-4-9-20-18(24)14-22-10-12-23(13-11-22)15(2)19(25)21-16-5-7-17(26-3)8-6-16/h4-8,15H,1,9-14H2,2-3H3,(H,20,24)(H,21,25)
InChIKeyORNXTGDADAXWNO-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.94
Rot. Bonds8

About N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide

N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide (PubChem CID 55470324) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
PubChem CID55470324
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
SMILESC=CCNC(=O)CN1CCN(C(C)C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C19H28N4O3/c1-4-9-20-18(24)14-22-10-12-23(13-11-22)15(2)19(25)21-16-5-7-17(26-3)8-6-16/h4-8,15H,1,9-14H2,2-3H3,(H,20,24)(H,21,25)
InChIKeyORNXTGDADAXWNO-UHFFFAOYSA-N
XLogP0.94
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 55471088
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 30958984
2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16667986
(2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30738398
(2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774532
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494
(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 9259058
N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 42934015
N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 46632227
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 42926214
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 43036041

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide (CID 55470324) is N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide is C=CCNC(=O)CN1CCN(C(C)C(=O)Nc2ccc(OC)cc2)CC1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide?
The InChIKey is ORNXTGDADAXWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-4-9-20-18(24)14-22-10-12-23(13-11-22)15(2)19(25)21-16-5-7-17(26-3)8-6-16/h4-8,15H,1,9-14H2,2-3H3,(H,20,24)(H,21,25).
What are the key properties of N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide?
N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide has a molecular weight of 360.46 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55470324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).