N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

C18H30N4O — CID 109013029

IUPACN-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCCC(C)NC(=O)CCNc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C18H30N4O/c1-4-15(2)20-18(23)9-10-19-16-5-7-17(8-6-16)22-13-11-21(3)12-14-22/h5-8,15,19H,4,9-14H2,1-3H3,(H,20,23)
InChIKeyXVODQEOBNBVMFW-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.16
Rot. Bonds7

About N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (PubChem CID 109013029) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
PubChem CID109013029
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCCC(C)NC(=O)CCNc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C18H30N4O/c1-4-15(2)20-18(23)9-10-19-16-5-7-17(8-6-16)22-13-11-21(3)12-14-22/h5-8,15,19H,4,9-14H2,1-3H3,(H,20,23)
InChIKeyXVODQEOBNBVMFW-UHFFFAOYSA-N
XLogP2.16
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide
CID 109011692
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
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013548
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
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109020180
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
N-(3-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109040894
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012880

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The IUPAC name of N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (CID 109013029) is N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is CCC(C)NC(=O)CCNc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The InChIKey is XVODQEOBNBVMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-15(2)20-18(23)9-10-19-16-5-7-17(8-6-16)22-13-11-21(3)12-14-22/h5-8,15,19H,4,9-14H2,1-3H3,(H,20,23).
What are the key properties of N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide has a molecular weight of 318.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is sourced from PubChem (CID 109013029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).