(E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide

C23H30N4O — CID 56743397

IUPAC(E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide
SMILESCC/C=C/CC(=O)NCc1cccnc1N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C23H30N4O/c1-3-4-5-12-22(28)25-18-20-10-8-13-24-23(20)27-16-14-26(15-17-27)21-11-7-6-9-19(21)2/h4-11,13H,3,12,14-18H2,1-2H3,(H,25,28)/b5-4+
InChIKeyLSSKHIHPWXFZGZ-SNAWJCMRSA-N
MW378.52 g/mol
LogP3.69
Rot. Bonds7

About (E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide

(E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide (PubChem CID 56743397) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is (E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide.

Molecular Properties

Compound Name(E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide
PubChem CID56743397
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name(E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide
SMILESCC/C=C/CC(=O)NCc1cccnc1N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C23H30N4O/c1-3-4-5-12-22(28)25-18-20-10-8-13-24-23(20)27-16-14-26(15-17-27)21-11-7-6-9-19(21)2/h4-11,13H,3,12,14-18H2,1-2H3,(H,25,28)/b5-4+
InChIKeyLSSKHIHPWXFZGZ-SNAWJCMRSA-N
XLogP3.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
CID 56745164
1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 167827928
2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
CID 71876650
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 95215139
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 25454870
2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56702955
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 42461962
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
CID 23290943
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide
CID 25453222
4-(2,3-dimethylphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111238453

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide?
The IUPAC name of (E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide (CID 56743397) is (E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide.
What is the SMILES notation for (E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide?
The canonical SMILES for (E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide is CC/C=C/CC(=O)NCc1cccnc1N1CCN(c2ccccc2C)CC1.
What is the InChIKey of (E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide?
The InChIKey is LSSKHIHPWXFZGZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C23H30N4O/c1-3-4-5-12-22(28)25-18-20-10-8-13-24-23(20)27-16-14-26(15-17-27)21-11-7-6-9-19(21)2/h4-11,13H,3,12,14-18H2,1-2H3,(H,25,28)/b5-4+.
What are the key properties of (E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide?
(E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide has a molecular weight of 378.52 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]hex-3-enamide is sourced from PubChem (CID 56743397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).