N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide

C15H17N5O — CID 79094861

IUPACN-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide
SMILESN#Cc1ccccc1NC(=O)CCN1CCNCC1C#N
InChIInChI=1S/C15H17N5O/c16-9-12-3-1-2-4-14(12)19-15(21)5-7-20-8-6-18-11-13(20)10-17/h1-4,13,18H,5-8,11H2,(H,19,21)
InChIKeyJJEVVJBUSSZMOU-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.68
Rot. Bonds4

About N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide

N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide (PubChem CID 79094861) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide
PubChem CID79094861
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide
SMILESN#Cc1ccccc1NC(=O)CCN1CCNCC1C#N
InChIInChI=1S/C15H17N5O/c16-9-12-3-1-2-4-14(12)19-15(21)5-7-20-8-6-18-11-13(20)10-17/h1-4,13,18H,5-8,11H2,(H,19,21)
InChIKeyJJEVVJBUSSZMOU-UHFFFAOYSA-N
XLogP0.68
TPSA91.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-cyanophenyl)-3-hydroxypropanamide
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N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
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N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
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N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
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N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide
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3-[2-(2-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 120757256
2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide
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N-(2-cyanophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
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N-(2-cyanophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide (CID 79094861) is N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide is N#Cc1ccccc1NC(=O)CCN1CCNCC1C#N.
What is the InChIKey of N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide?
The InChIKey is JJEVVJBUSSZMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-9-12-3-1-2-4-14(12)19-15(21)5-7-20-8-6-18-11-13(20)10-17/h1-4,13,18H,5-8,11H2,(H,19,21).
What are the key properties of N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide?
N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide has a molecular weight of 283.33 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(2-cyanopiperazin-1-yl)propanamide is sourced from PubChem (CID 79094861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).