N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide

C23H32N4O — CID 109030984

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide
SMILESCN1CCN(c2ccc(NC(=O)CCNCCCc3ccccc3)cc2)CC1
InChIInChI=1S/C23H32N4O/c1-26-16-18-27(19-17-26)22-11-9-21(10-12-22)25-23(28)13-15-24-14-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,24H,5,8,13-19H2,1H3,(H,25,28)
InChIKeyRJWNUIDFADSVPK-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.99
Rot. Bonds9

About N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide (PubChem CID 109030984) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide
PubChem CID109030984
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide
SMILESCN1CCN(c2ccc(NC(=O)CCNCCCc3ccccc3)cc2)CC1
InChIInChI=1S/C23H32N4O/c1-26-16-18-27(19-17-26)22-11-9-21(10-12-22)25-23(28)13-15-24-14-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,24H,5,8,13-19H2,1H3,(H,25,28)
InChIKeyRJWNUIDFADSVPK-UHFFFAOYSA-N
XLogP2.99
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)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-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109017152
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-phenylethyl)urea
CID 108888081
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016826
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012880
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109019030
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109030939
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 110601100
4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110204
3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109012504
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 22692234

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide (CID 109030984) is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide is CN1CCN(c2ccc(NC(=O)CCNCCCc3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide?
The InChIKey is RJWNUIDFADSVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-26-16-18-27(19-17-26)22-11-9-21(10-12-22)25-23(28)13-15-24-14-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,24H,5,8,13-19H2,1H3,(H,25,28).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide has a molecular weight of 380.54 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide is sourced from PubChem (CID 109030984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).