N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide

C18H29N3O — CID 59186291

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C18H29N3O/c1-15(2)16-5-7-17(8-6-16)18(22)19-9-4-10-21-13-11-20(3)12-14-21/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)
InChIKeyPDEVRSQOHFYZBP-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.18
Rot. Bonds6

About N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide

N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide (PubChem CID 59186291) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
PubChem CID59186291
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C18H29N3O/c1-15(2)16-5-7-17(8-6-16)18(22)19-9-4-10-21-13-11-20(3)12-14-21/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)
InChIKeyPDEVRSQOHFYZBP-UHFFFAOYSA-N
XLogP2.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55656712
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368
4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656823
4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 80965947
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
6-amino-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 70906155
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
3,5-dichloro-N-[4-[4-[4-(4-propan-2-ylphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]benzamide
CID 44532244
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656660
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 110405180

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide (CID 59186291) is N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide?
The InChIKey is PDEVRSQOHFYZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15(2)16-5-7-17(8-6-16)18(22)19-9-4-10-21-13-11-20(3)12-14-21/h5-8,15H,4,9-14H2,1-3H3,(H,19,22).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide has a molecular weight of 303.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 59186291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).