1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide

C24H29N3O2 — CID 108981506

IUPAC1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2(C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-17-14-18(2)16-20(15-17)26-23(29)24(10-11-24)22(28)25-19-6-8-21(9-7-19)27-12-4-3-5-13-27/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyDOJHHTGCPFKCJG-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.65
Rot. Bonds5

About 1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide

1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981506) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981506
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2(C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-17-14-18(2)16-20(15-17)26-23(29)24(10-11-24)22(28)25-19-6-8-21(9-7-19)27-12-4-3-5-13-27/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyDOJHHTGCPFKCJG-UHFFFAOYSA-N
XLogP4.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(3,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981505
1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981349
1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63180680
1-N'-(2-methoxy-5-methylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983207
1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971320
1-N-(4-chlorophenyl)-1-N'-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981473
1-N-prop-2-enyl-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108970930
1-N'-(3,5-dimethylphenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981461
1-N-(3-methoxypropyl)-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972989
1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108973858
1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 65463655
1-N'-(4-piperidin-1-ylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108977040

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108981506) is 1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide is Cc1cc(C)cc(NC(=O)C2(C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c1.
What is the InChIKey of 1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is DOJHHTGCPFKCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17-14-18(2)16-20(15-17)26-23(29)24(10-11-24)22(28)25-19-6-8-21(9-7-19)27-12-4-3-5-13-27/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).