1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide

C20H29N3O2 — CID 645918

IUPAC1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide
SMILESO=C(NC1CCCCC1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c24-19(22-18-9-5-2-6-10-18)17-11-13-23(14-12-17)20(25)21-15-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,25)(H,22,24)
InChIKeyIZKOOKHGCPJSNC-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.06
Rot. Bonds4

About 1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide

1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide (PubChem CID 645918) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide
PubChem CID645918
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide
SMILESO=C(NC1CCCCC1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H29N3O2/c24-19(22-18-9-5-2-6-10-18)17-11-13-23(14-12-17)20(25)21-15-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,25)(H,22,24)
InChIKeyIZKOOKHGCPJSNC-UHFFFAOYSA-N
XLogP3.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide (CID 645918) is 1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide is O=C(NC1CCCCC1)C1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide?
The InChIKey is IZKOOKHGCPJSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(22-18-9-5-2-6-10-18)17-11-13-23(14-12-17)20(25)21-15-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,25)(H,22,24).
What are the key properties of 1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide?
1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-cyclohexylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 645918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).