(E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide

C20H23N5O2 — CID 9269227

IUPAC(E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H23N5O2/c1-16(23-18(26)9-8-17-6-3-2-4-7-17)19(27)24-12-14-25(15-13-24)20-21-10-5-11-22-20/h2-11,16H,12-15H2,1H3,(H,23,26)/b9-8+/t16-/m0/s1
InChIKeyJAXFAOCFNQLLGW-FDMDGMSGSA-N
MW365.44 g/mol
LogP1.34
Rot. Bonds5

About (E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide

(E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide (PubChem CID 9269227) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide
PubChem CID9269227
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H23N5O2/c1-16(23-18(26)9-8-17-6-3-2-4-7-17)19(27)24-12-14-25(15-13-24)20-21-10-5-11-22-20/h2-11,16H,12-15H2,1H3,(H,23,26)/b9-8+/t16-/m0/s1
InChIKeyJAXFAOCFNQLLGW-FDMDGMSGSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide
CID 56521145
(E)-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51166216
(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 9041528
(E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51161508
(E)-N-[1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 75478030
ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate
CID 51162077
2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 51968328
2-methyl-N-[1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidin-4-yl]benzamide
CID 55689247
N-[3-(hydroxyamino)-4-oxobut-3-en-2-yl]-3-phenylprop-2-enamide
CID 176530208
N-[(2S)-3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide
CID 6724445
[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 55526389
(E)-3-(4-methylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 896401

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide (CID 9269227) is (E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide is C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide?
The InChIKey is JAXFAOCFNQLLGW-FDMDGMSGSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-16(23-18(26)9-8-17-6-3-2-4-7-17)19(27)24-12-14-25(15-13-24)20-21-10-5-11-22-20/h2-11,16H,12-15H2,1H3,(H,23,26)/b9-8+/t16-/m0/s1.
What are the key properties of (E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide?
(E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide has a molecular weight of 365.44 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 9269227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).