N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide

C17H25N3O2 — CID 171820990

IUPACN-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-18-17(22)16(4-3-13-21)14-5-7-15(8-6-14)20-11-9-19(2)10-12-20/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,18,22)
InChIKeyNICHSLJITWPQAS-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.25
Rot. Bonds6

About N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide

N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide (PubChem CID 171820990) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide.

Molecular Properties

Compound NameN-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide
PubChem CID171820990
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-18-17(22)16(4-3-13-21)14-5-7-15(8-6-14)20-11-9-19(2)10-12-20/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,18,22)
InChIKeyNICHSLJITWPQAS-UHFFFAOYSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-[2-[4-[4-[1-(methylamino)-1,5-dioxopentan-2-yl]phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate
CID 170737740
N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 168970319
(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide
CID 39911400
2-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)-7-azaspiro[3.5]nonan-7-yl]phenyl]-N-methyl-5-oxopentanamide
CID 177134552
2-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]acetaldehyde
CID 87854614
3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 170876139
2-(3-methylbutylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109005861
[(1S)-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethyl]carbamic acid
CID 141139652
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylanilino)acetamide
CID 109007895
2-[4-[4-(4-methylpiperazin-1-yl)benzoyl]piperazin-1-yl]acetaldehyde
CID 174679409
2-[2,6-difluoro-4-[(3S)-3-(hydroxymethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]phenyl]-N-methyl-5-oxopentanamide
CID 177028075

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide?
The IUPAC name of N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide (CID 171820990) is N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide.
What is the SMILES notation for N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide?
The canonical SMILES for N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide is CNC(=O)C(CCC=O)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide?
The InChIKey is NICHSLJITWPQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-18-17(22)16(4-3-13-21)14-5-7-15(8-6-14)20-11-9-19(2)10-12-20/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,18,22).
What are the key properties of N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide?
N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide has a molecular weight of 303.41 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide is sourced from PubChem (CID 171820990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).