5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one

C21H26N2O2 — CID 70767727

IUPAC5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one
SMILESCCCN1CC(=O)N(c2cccc(OC)c2)CC1Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-12-22-16-21(24)23(18-10-7-11-20(14-18)25-2)15-19(22)13-17-8-5-4-6-9-17/h4-11,14,19H,3,12-13,15-16H2,1-2H3
InChIKeySEMDUBDBBLBHGV-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.37
Rot. Bonds6

About 5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one

5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one (PubChem CID 70767727) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one.

Molecular Properties

Compound Name5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one
PubChem CID70767727
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one
SMILESCCCN1CC(=O)N(c2cccc(OC)c2)CC1Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-12-22-16-21(24)23(18-10-7-11-20(14-18)25-2)15-19(22)13-17-8-5-4-6-9-17/h4-11,14,19H,3,12-13,15-16H2,1-2H3
InChIKeySEMDUBDBBLBHGV-UHFFFAOYSA-N
XLogP3.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide
CID 97113526
(5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one
CID 96578517
[2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea
CID 70736446
4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90567182
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
(5S)-4-butylsulfonyl-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 126446828
1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one
CID 70735507
1-benzyl-1-butyl-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543894
4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one
CID 70738705
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 167374651

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one?
The IUPAC name of 5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one (CID 70767727) is 5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one.
What is the SMILES notation for 5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one?
The canonical SMILES for 5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one is CCCN1CC(=O)N(c2cccc(OC)c2)CC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one?
The InChIKey is SEMDUBDBBLBHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-12-22-16-21(24)23(18-10-7-11-20(14-18)25-2)15-19(22)13-17-8-5-4-6-9-17/h4-11,14,19H,3,12-13,15-16H2,1-2H3.
What are the key properties of 5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one?
5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one has a molecular weight of 338.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one is sourced from PubChem (CID 70767727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).