4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide

C23H28N4O2 — CID 30662190

IUPAC4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide
SMILESC=CCNC(=O)CN1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C23H28N4O2/c1-2-12-24-22(28)18-27-15-13-26(14-16-27)17-19-8-10-20(11-9-19)23(29)25-21-6-4-3-5-7-21/h2-11H,1,12-18H2,(H,24,28)(H,25,29)
InChIKeyWNKLCDYFTKKCAO-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.36
Rot. Bonds8

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

4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide (PubChem CID 30662190) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide
PubChem CID30662190
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide
SMILESC=CCNC(=O)CN1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C23H28N4O2/c1-2-12-24-22(28)18-27-15-13-26(14-16-27)17-19-8-10-20(11-9-19)23(29)25-21-6-4-3-5-7-21/h2-11H,1,12-18H2,(H,24,28)(H,25,29)
InChIKeyWNKLCDYFTKKCAO-UHFFFAOYSA-N
XLogP2.36
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
methyl 4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]benzoate
CID 46516315
2-[4-[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55462140
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide
CID 60510762
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
CID 55409462
N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 32731119
2-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 34922594
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 46493823
4-[(4-benzylsulfonylpiperazin-1-yl)methyl]-N-phenylbenzamide
CID 38817450
4-(4-benzylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 109058451
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 3230361

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide?
The IUPAC name of 4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide (CID 30662190) is 4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide is C=CCNC(=O)CN1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of 4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide?
The InChIKey is WNKLCDYFTKKCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-2-12-24-22(28)18-27-15-13-26(14-16-27)17-19-8-10-20(11-9-19)23(29)25-21-6-4-3-5-7-21/h2-11H,1,12-18H2,(H,24,28)(H,25,29).
What are the key properties of 4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide?
4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide has a molecular weight of 392.50 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide is sourced from PubChem (CID 30662190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).