1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide

C23H40N4O2 — CID 45247149

IUPAC1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)CC1
InChIInChI=1S/C23H40N4O2/c24-21(28)23(10-11-23)22(29)27(16-15-25-12-4-1-5-13-25)18-19-7-6-14-26(17-19)20-8-2-3-9-20/h19-20H,1-18H2,(H2,24,28)
InChIKeyWWOXZTJAXPCVMM-UHFFFAOYSA-N
MW404.60 g/mol
LogP2.22
Rot. Bonds8

About 1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide

1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 45247149) has the molecular formula C23H40N4O2 and a molecular weight of 404.60 g/mol. Its IUPAC name is 1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID45247149
Molecular FormulaC23H40N4O2
Molecular Weight404.60 g/mol
Exact Mass404.32
IUPAC Name1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)CC1
InChIInChI=1S/C23H40N4O2/c24-21(28)23(10-11-23)22(29)27(16-15-25-12-4-1-5-13-25)18-19-7-6-14-26(17-19)20-8-2-3-9-20/h19-20H,1-18H2,(H2,24,28)
InChIKeyWWOXZTJAXPCVMM-UHFFFAOYSA-N
XLogP2.22
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide (CID 45247149) is 1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(=O)N(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)CC1.
What is the InChIKey of 1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is WWOXZTJAXPCVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O2/c24-21(28)23(10-11-23)22(29)27(16-15-25-12-4-1-5-13-25)18-19-7-6-14-26(17-19)20-8-2-3-9-20/h19-20H,1-18H2,(H2,24,28).
What are the key properties of 1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide?
1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 404.60 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 45247149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).