1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide

C21H32N4O2 — CID 108973858

IUPAC1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCN(C)CCCNC(=O)C1(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C21H32N4O2/c1-24(2)14-6-13-22-19(26)21(11-12-21)20(27)23-17-7-9-18(10-8-17)25-15-4-3-5-16-25/h7-10H,3-6,11-16H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyHJYXPFSLGZORQI-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.46
Rot. Bonds8

About 1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide

1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108973858) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108973858
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCN(C)CCCNC(=O)C1(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C21H32N4O2/c1-24(2)14-6-13-22-19(26)21(11-12-21)20(27)23-17-7-9-18(10-8-17)25-15-4-3-5-16-25/h7-10H,3-6,11-16H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyHJYXPFSLGZORQI-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-(3-methoxypropyl)-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972989
1-N-prop-2-enyl-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108970930
1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971320
1-N'-(3,4-difluorophenyl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973898
1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63180680
1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979823
1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981506
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972635
1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108973473
N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109016988
1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973872
1-N'-(3,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981505

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108973858) is 1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide is CN(C)CCCNC(=O)C1(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is HJYXPFSLGZORQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-24(2)14-6-13-22-19(26)21(11-12-21)20(27)23-17-7-9-18(10-8-17)25-15-4-3-5-16-25/h7-10H,3-6,11-16H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-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-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).