N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide

C16H24N4O — CID 61439799

IUPACN-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide
SMILESNc1ccccc1NC(=O)CCN1CCN(C2CC2)CC1
InChIInChI=1S/C16H24N4O/c17-14-3-1-2-4-15(14)18-16(21)7-8-19-9-11-20(12-10-19)13-5-6-13/h1-4,13H,5-12,17H2,(H,18,21)
InChIKeyFQWYXQZLZPFKJD-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.38
Rot. Bonds5

About N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide

N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide (PubChem CID 61439799) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide
PubChem CID61439799
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide
SMILESNc1ccccc1NC(=O)CCN1CCN(C2CC2)CC1
InChIInChI=1S/C16H24N4O/c17-14-3-1-2-4-15(14)18-16(21)7-8-19-9-11-20(12-10-19)13-5-6-13/h1-4,13H,5-12,17H2,(H,18,21)
InChIKeyFQWYXQZLZPFKJD-UHFFFAOYSA-N
XLogP1.38
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 16793627
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
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N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 113220983
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
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3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide
CID 86928095
N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590088
1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 16788588
N-(2-aminophenyl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797111
N-(2-aminophenyl)-3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanamide
CID 80579397
N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16779613
N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440078

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide (CID 61439799) is N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide is Nc1ccccc1NC(=O)CCN1CCN(C2CC2)CC1.
What is the InChIKey of N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide?
The InChIKey is FQWYXQZLZPFKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-14-3-1-2-4-15(14)18-16(21)7-8-19-9-11-20(12-10-19)13-5-6-13/h1-4,13H,5-12,17H2,(H,18,21).
What are the key properties of N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide?
N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide has a molecular weight of 288.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide is sourced from PubChem (CID 61439799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).