N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide

C18H30N4O — CID 109012880

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide
SMILESCC(C)CNCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C18H30N4O/c1-15(2)14-19-9-8-18(23)20-16-4-6-17(7-5-16)22-12-10-21(3)11-13-22/h4-7,15,19H,8-14H2,1-3H3,(H,20,23)
InChIKeyYJWUEUULCKUKCK-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.01
Rot. Bonds7

About N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide (PubChem CID 109012880) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide
PubChem CID109012880
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide
SMILESCC(C)CNCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C18H30N4O/c1-15(2)14-19-9-8-18(23)20-16-4-6-17(7-5-16)22-12-10-21(3)11-13-22/h4-7,15,19H,8-14H2,1-3H3,(H,20,23)
InChIKeyYJWUEUULCKUKCK-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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'}

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Related Compounds

2-(3-methylbutylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109005861
3-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109017152
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016826
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide
CID 109030984
N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide
CID 109012816
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 22692234
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 109032069
3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide
CID 109011692
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide (CID 109012880) is N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide is CC(C)CNCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide?
The InChIKey is YJWUEUULCKUKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-15(2)14-19-9-8-18(23)20-16-4-6-17(7-5-16)22-12-10-21(3)11-13-22/h4-7,15,19H,8-14H2,1-3H3,(H,20,23).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide has a molecular weight of 318.47 g/mol, XLogP of 2.01, 7 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-(2-methylpropylamino)propanamide is sourced from PubChem (CID 109012880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).