N-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide

C20H24N3O2+ — CID 8709837

IUPACN-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide
SMILESO=C1C[NH+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C20H23N3O2/c24-19-14-23(12-11-21-19)15-20(25)22-18(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,21,24)(H,22,25)/p+1/t18-/m0/s1
InChIKeyXGIMBBDZOQKQMO-SFHVURJKSA-O
MW338.43 g/mol
LogP0.10
Rot. Bonds6

About N-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide

N-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide (PubChem CID 8709837) has the molecular formula C20H24N3O2+ and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide
PubChem CID8709837
Molecular FormulaC20H24N3O2+
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC NameN-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide
SMILESO=C1C[NH+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C20H23N3O2/c24-19-14-23(12-11-21-19)15-20(25)22-18(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,21,24)(H,22,25)/p+1/t18-/m0/s1
InChIKeyXGIMBBDZOQKQMO-SFHVURJKSA-O
XLogP0.10
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-oxopiperazin-1-ium-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8549244
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 8962649
N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95306843
4-(2-phenylethyl)piperazin-4-ium-2-one
CID 8547164
2-(3-oxopiperazin-1-ium-1-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9043003
N-[2-(2-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 8549219
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
1,2-diphenylethylurea
CID 2853470
N-(1,2-diphenylethyl)pentanamide
CID 134014505
(2S)-2-(3-oxopiperazin-1-ium-1-yl)-N-[(1R)-1-phenylbutyl]propanamide
CID 9348552
N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935530
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide (CID 8709837) is N-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide is O=C1C[NH+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CCN1.
What is the InChIKey of N-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
The InChIKey is XGIMBBDZOQKQMO-SFHVURJKSA-O. The full InChI is InChI=1S/C20H23N3O2/c24-19-14-23(12-11-21-19)15-20(25)22-18(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,21,24)(H,22,25)/p+1/t18-/m0/s1.
What are the key properties of N-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide?
N-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide has a molecular weight of 338.43 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-diphenylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8709837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).