N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide

C16H26N4O — CID 43584975

IUPACN-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)N1CCN(C(C)C(=O)Nc2cccc(N)c2)CC1
InChIInChI=1S/C16H26N4O/c1-12(2)19-7-9-20(10-8-19)13(3)16(21)18-15-6-4-5-14(17)11-15/h4-6,11-13H,7-10,17H2,1-3H3,(H,18,21)
InChIKeyDIJYBMPAKKVDAL-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.62
Rot. Bonds4

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

N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide (PubChem CID 43584975) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
PubChem CID43584975
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)N1CCN(C(C)C(=O)Nc2cccc(N)c2)CC1
InChIInChI=1S/C16H26N4O/c1-12(2)19-7-9-20(10-8-19)13(3)16(21)18-15-6-4-5-14(17)11-15/h4-6,11-13H,7-10,17H2,1-3H3,(H,18,21)
InChIKeyDIJYBMPAKKVDAL-UHFFFAOYSA-N
XLogP1.62
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.62
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

N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 43581148
N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223800
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide
CID 66083868
(2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide
CID 120873876
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-(3-aminophenyl)-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562298
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106586020
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62122801

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide (CID 43584975) is N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide is CC(C)N1CCN(C(C)C(=O)Nc2cccc(N)c2)CC1.
What is the InChIKey of N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide?
The InChIKey is DIJYBMPAKKVDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)19-7-9-20(10-8-19)13(3)16(21)18-15-6-4-5-14(17)11-15/h4-6,11-13H,7-10,17H2,1-3H3,(H,18,21).
What are the key properties of N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide?
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 43584975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).