(5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one

C23H26N2O3 — CID 96578517

IUPAC(5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one
SMILESCOc1cccc(N2C[C@@H](Cc3ccccc3)N(C(=O)C3(C)CC3)CC2=O)c1
InChIInChI=1S/C23H26N2O3/c1-23(11-12-23)22(27)25-16-21(26)24(18-9-6-10-20(14-18)28-2)15-19(25)13-17-7-4-3-5-8-17/h3-10,14,19H,11-13,15-16H2,1-2H3/t19-/m1/s1
InChIKeyNFTYQWWPMWAFBS-LJQANCHMSA-N
MW378.47 g/mol
LogP3.28
Rot. Bonds5

About (5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one

(5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one (PubChem CID 96578517) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one
PubChem CID96578517
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one
SMILESCOc1cccc(N2C[C@@H](Cc3ccccc3)N(C(=O)C3(C)CC3)CC2=O)c1
InChIInChI=1S/C23H26N2O3/c1-23(11-12-23)22(27)25-16-21(26)24(18-9-6-10-20(14-18)28-2)15-19(25)13-17-7-4-3-5-8-17/h3-10,14,19H,11-13,15-16H2,1-2H3/t19-/m1/s1
InChIKeyNFTYQWWPMWAFBS-LJQANCHMSA-N
XLogP3.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea
CID 70736446
2-[(2S)-2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]acetamide
CID 97113526
5-benzyl-1-(3-methoxyphenyl)-4-propylpiperazin-2-one
CID 70767727
4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90567182
4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one
CID 70738705
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
CID 70749410
5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70728334
4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 70779297
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
(5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571041

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one?
The IUPAC name of (5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one (CID 96578517) is (5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one.
What is the SMILES notation for (5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one?
The canonical SMILES for (5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one is COc1cccc(N2C[C@@H](Cc3ccccc3)N(C(=O)C3(C)CC3)CC2=O)c1.
What is the InChIKey of (5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one?
The InChIKey is NFTYQWWPMWAFBS-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-23(11-12-23)22(27)25-16-21(26)24(18-9-6-10-20(14-18)28-2)15-19(25)13-17-7-4-3-5-8-17/h3-10,14,19H,11-13,15-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one?
(5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one is sourced from PubChem (CID 96578517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).