N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

C24H31N3O2 — CID 109021976

IUPACN-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-29-23-12-6-5-11-22(23)20-25-24(28)13-15-27-18-16-26(17-19-27)14-7-10-21-8-3-2-4-9-21/h2-12H,13-20H2,1H3,(H,25,28)/b10-7+
InChIKeyZDRGTQGPURLVHX-JXMROGBWSA-N
MW393.53 g/mol
LogP3.03
Rot. Bonds9

About N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (PubChem CID 109021976) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
PubChem CID109021976
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-29-23-12-6-5-11-22(23)20-25-24(28)13-15-27-18-16-26(17-19-27)14-7-10-21-8-3-2-4-9-21/h2-12H,13-20H2,1H3,(H,25,28)/b10-7+
InChIKeyZDRGTQGPURLVHX-JXMROGBWSA-N
XLogP3.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 109023804
3-(2,3-dimethoxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 9118704
N-(furan-2-ylmethyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109018456
N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109016909
N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109030023
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021977
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
3-(4-acetylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109018289
N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
CID 53312696
N-[(2-fluorophenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109020713
N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride
CID 5389665

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (CID 109021976) is N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is COc1ccccc1CNC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The InChIKey is ZDRGTQGPURLVHX-JXMROGBWSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-29-23-12-6-5-11-22(23)20-25-24(28)13-15-27-18-16-26(17-19-27)14-7-10-21-8-3-2-4-9-21/h2-12H,13-20H2,1H3,(H,25,28)/b10-7+.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide has a molecular weight of 393.53 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 109021976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).