2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide

C15H18N4O2 — CID 110750457

IUPAC2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(C(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C15H18N4O2/c1-11(14(17)20)18-5-7-19(8-6-18)15(21)13-4-2-3-12(9-13)10-16/h2-4,9,11H,5-8H2,1H3,(H2,17,20)
InChIKeyRITSFLASLJYAGJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.19
Rot. Bonds3

About 2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide

2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide (PubChem CID 110750457) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide
PubChem CID110750457
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(C(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C15H18N4O2/c1-11(14(17)20)18-5-7-19(8-6-18)15(21)13-4-2-3-12(9-13)10-16/h2-4,9,11H,5-8H2,1H3,(H2,17,20)
InChIKeyRITSFLASLJYAGJ-UHFFFAOYSA-N
XLogP0.19
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzonitrile
CID 110817697
3-(4-ethylpiperazine-1-carbonyl)benzonitrile
CID 24705245
3-(4-propanoylpiperazine-1-carbonyl)benzonitrile
CID 110817109
3-[4-[4-(dimethylamino)benzoyl]piperazine-1-carbonyl]benzonitrile
CID 110365202
3-[4-[(4-bromophenyl)-phenylmethyl]piperazine-1-carbonyl]benzonitrile
CID 46099707
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide
CID 110750479
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
2-[4-(3-cyanobenzoyl)piperazin-1-yl]benzamide
CID 57002427
N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide
CID 134043760
3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]benzonitrile
CID 63656587
3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 2711263
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide
CID 134063131

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide (CID 110750457) is 2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide is CC(C(N)=O)N1CCN(C(=O)c2cccc(C#N)c2)CC1.
What is the InChIKey of 2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide?
The InChIKey is RITSFLASLJYAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(14(17)20)18-5-7-19(8-6-18)15(21)13-4-2-3-12(9-13)10-16/h2-4,9,11H,5-8H2,1H3,(H2,17,20).
What are the key properties of 2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide?
2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide has a molecular weight of 286.34 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 110750457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).