(2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide

C14H16N4O2 — CID 2657138

IUPAC(2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCNC(=O)C1
InChIInChI=1S/C14H16N4O2/c1-10(18-7-6-16-13(19)9-18)14(20)17-12-4-2-11(8-15)3-5-12/h2-5,10H,6-7,9H2,1H3,(H,16,19)(H,17,20)/t10-/m1/s1
InChIKeyXAOWRVJIJBIBRA-SNVBAGLBSA-N
MW272.31 g/mol
LogP0.32
Rot. Bonds3

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

(2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide (PubChem CID 2657138) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
PubChem CID2657138
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCNC(=O)C1
InChIInChI=1S/C14H16N4O2/c1-10(18-7-6-16-13(19)9-18)14(20)17-12-4-2-11(8-15)3-5-12/h2-5,10H,6-7,9H2,1H3,(H,16,19)(H,17,20)/t10-/m1/s1
InChIKeyXAOWRVJIJBIBRA-SNVBAGLBSA-N
XLogP0.32
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8516481
(2R)-N-(2-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516450
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516323
N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 60976032
1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43824034
(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 2653628
N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 103898485
N-(4-cyanophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 115965231
(2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26304739
(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2654878

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide (CID 2657138) is (2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide is C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCNC(=O)C1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide?
The InChIKey is XAOWRVJIJBIBRA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10(18-7-6-16-13(19)9-18)14(20)17-12-4-2-11(8-15)3-5-12/h2-5,10H,6-7,9H2,1H3,(H,16,19)(H,17,20)/t10-/m1/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide?
(2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide has a molecular weight of 272.31 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide is sourced from PubChem (CID 2657138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).