3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide

C17H28N4O — CID 109011692

IUPAC3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N4O/c1-14(2)19-17(22)8-9-18-15-4-6-16(7-5-15)21-12-10-20(3)11-13-21/h4-7,14,18H,8-13H2,1-3H3,(H,19,22)
InChIKeyOPSWOGORTNQKCW-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.76
Rot. Bonds6

About 3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide

3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide (PubChem CID 109011692) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide
PubChem CID109011692
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N4O/c1-14(2)19-17(22)8-9-18-15-4-6-16(7-5-15)21-12-10-20(3)11-13-21/h4-7,14,18H,8-13H2,1-3H3,(H,19,22)
InChIKeyOPSWOGORTNQKCW-UHFFFAOYSA-N
XLogP1.76
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013029
N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109031383
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013548
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109020180
N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109016992
N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109037833
3-(4-methylanilino)-N-propan-2-ylpropanamide
CID 60644223
N-(3-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109040894
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109035128
N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109019204

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide (CID 109011692) is 3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide?
The InChIKey is OPSWOGORTNQKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14(2)19-17(22)8-9-18-15-4-6-16(7-5-15)21-12-10-20(3)11-13-21/h4-7,14,18H,8-13H2,1-3H3,(H,19,22).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide?
3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide has a molecular weight of 304.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 109011692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).