1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide

C21H32N4O2 — CID 108979823

IUPAC1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C21H32N4O2/c1-3-4-5-12-22-19(26)21(10-11-21)20(27)23-17-6-8-18(9-7-17)25-15-13-24(2)14-16-25/h6-9H,3-5,10-16H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyZUBRTJLBKBJUTD-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.46
Rot. Bonds8

About 1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide

1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide (PubChem CID 108979823) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide
PubChem CID108979823
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C21H32N4O2/c1-3-4-5-12-22-19(26)21(10-11-21)20(27)23-17-6-8-18(9-7-17)25-15-13-24(2)14-16-25/h6-9H,3-5,10-16H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyZUBRTJLBKBJUTD-UHFFFAOYSA-N
XLogP2.46
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.46
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'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979783
1-N',1-N'-diethyl-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108979122
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108973858
1-N-(3-methoxypropyl)-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972989
1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976889
1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979810
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide
CID 109195891
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide
CID 110601093
2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide
CID 109094346
1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 108980086
1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979827

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide (CID 108979823) is 1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide is CCCCCNC(=O)C1(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1.
What is the InChIKey of 1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide?
The InChIKey is ZUBRTJLBKBJUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-3-4-5-12-22-19(26)21(10-11-21)20(27)23-17-6-8-18(9-7-17)25-15-13-24(2)14-16-25/h6-9H,3-5,10-16H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide?
1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).