N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide

C17H25N3O — CID 16889244

IUPACN-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide
SMILESCN1CCN(c2ccc(CCNC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C17H25N3O/c1-19-10-12-20(13-11-19)16-6-2-14(3-7-16)8-9-18-17(21)15-4-5-15/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,18,21)
InChIKeyKMAAMYLVOOBSJJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.51
Rot. Bonds5

About N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide

N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide (PubChem CID 16889244) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide
PubChem CID16889244
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide
SMILESCN1CCN(c2ccc(CCNC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C17H25N3O/c1-19-10-12-20(13-11-19)16-6-2-14(3-7-16)8-9-18-17(21)15-4-5-15/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,18,21)
InChIKeyKMAAMYLVOOBSJJ-UHFFFAOYSA-N
XLogP1.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
4-bromo-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889266
1-(1-cyclopropylbut-3-ynyl)-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]urea
CID 166313544
4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673281
3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889269
2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889214
1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108902143
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-phenylethyl)urea
CID 108888081
N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide
CID 167018688
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide (CID 16889244) is N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide is CN1CCN(c2ccc(CCNC(=O)C3CC3)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide?
The InChIKey is KMAAMYLVOOBSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19-10-12-20(13-11-19)16-6-2-14(3-7-16)8-9-18-17(21)15-4-5-15/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,18,21).
What are the key properties of N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide?
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 16889244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).