N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C19H22N4O2 — CID 108905995

IUPACN-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCOc1cccc(/C=C/NC(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H22N4O2/c1-25-17-6-4-5-16(15-17)8-10-21-19(24)23-13-11-22(12-14-23)18-7-2-3-9-20-18/h2-10,15H,11-14H2,1H3,(H,21,24)/b10-8+
InChIKeyOVMKWMJGVQLCFX-CSKARUKUSA-N
MW338.41 g/mol
LogP2.59
Rot. Bonds4

About N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 108905995) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID108905995
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCOc1cccc(/C=C/NC(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H22N4O2/c1-25-17-6-4-5-16(15-17)8-10-21-19(24)23-13-11-22(12-14-23)18-7-2-3-9-20-18/h2-10,15H,11-14H2,1H3,(H,21,24)/b10-8+
InChIKeyOVMKWMJGVQLCFX-CSKARUKUSA-N
XLogP2.59
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108905964
4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
CID 108905963
4-(furan-2-carbonyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108905984
N-(3-methoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950907
N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108905249
N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108904506
[6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109353170
N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108912309
N-[(2-methoxyphenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108892372
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292
1-(3-methoxyphenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111092164
N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 108905995) is N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide is COc1cccc(/C=C/NC(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is OVMKWMJGVQLCFX-CSKARUKUSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-25-17-6-4-5-16(15-17)8-10-21-19(24)23-13-11-22(12-14-23)18-7-2-3-9-20-18/h2-10,15H,11-14H2,1H3,(H,21,24)/b10-8+.
What are the key properties of N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108905995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).