(2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide

C13H16ClN3O2 — CID 67518815

IUPAC(2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide
SMILESNC(=O)[C@@H](CN1CCNC(=O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O2/c14-10-3-1-9(2-4-10)11(13(15)19)7-17-6-5-16-12(18)8-17/h1-4,11H,5-8H2,(H2,15,19)(H,16,18)/t11-/m0/s1
InChIKeyRNISLGOHWOMJIU-NSHDSACASA-N
MW281.74 g/mol
LogP0.34
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide

(2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide (PubChem CID 67518815) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide
PubChem CID67518815
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name(2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide
SMILESNC(=O)[C@@H](CN1CCNC(=O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O2/c14-10-3-1-9(2-4-10)11(13(15)19)7-17-6-5-16-12(18)8-17/h1-4,11H,5-8H2,(H2,15,19)(H,16,18)/t11-/m0/s1
InChIKeyRNISLGOHWOMJIU-NSHDSACASA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide (CID 67518815) is (2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide is NC(=O)[C@@H](CN1CCNC(=O)C1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide?
The InChIKey is RNISLGOHWOMJIU-NSHDSACASA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-10-3-1-9(2-4-10)11(13(15)19)7-17-6-5-16-12(18)8-17/h1-4,11H,5-8H2,(H2,15,19)(H,16,18)/t11-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide?
(2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide has a molecular weight of 281.74 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-3-(3-oxopiperazin-1-yl)propanamide is sourced from PubChem (CID 67518815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).