N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide

C19H25N5O2 — CID 55482155

IUPACN-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESN#Cc1ccccc1NC(=O)CCN1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C19H25N5O2/c20-13-15-3-1-2-4-17(15)22-18(25)7-8-23-9-11-24(12-10-23)14-19(26)21-16-5-6-16/h1-4,16H,5-12,14H2,(H,21,26)(H,22,25)
InChIKeyVDRUIIWWHPISJR-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.78
Rot. Bonds7

About N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide

N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 55482155) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID55482155
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESN#Cc1ccccc1NC(=O)CCN1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C19H25N5O2/c20-13-15-3-1-2-4-17(15)22-18(25)7-8-23-9-11-24(12-10-23)14-19(26)21-16-5-6-16/h1-4,16H,5-12,14H2,(H,21,26)(H,22,25)
InChIKeyVDRUIIWWHPISJR-UHFFFAOYSA-N
XLogP0.78
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
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2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
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N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
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N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
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N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110864681
N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63281967
N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide
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N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106669459
2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
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CID 671206

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 55482155) is N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide is N#Cc1ccccc1NC(=O)CCN1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is VDRUIIWWHPISJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c20-13-15-3-1-2-4-17(15)22-18(25)7-8-23-9-11-24(12-10-23)14-19(26)21-16-5-6-16/h1-4,16H,5-12,14H2,(H,21,26)(H,22,25).
What are the key properties of N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55482155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).