1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide

C21H31N3O2 — CID 646128

IUPAC1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C21H31N3O2/c25-20(22-14-13-17-8-3-1-4-9-17)18-10-7-15-24(16-18)21(26)23-19-11-5-2-6-12-19/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,22,25)(H,23,26)
InChIKeyAOFDBOPUGUYPQX-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.10
Rot. Bonds5

About 1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide

1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide (PubChem CID 646128) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
PubChem CID646128
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C21H31N3O2/c25-20(22-14-13-17-8-3-1-4-9-17)18-10-7-15-24(16-18)21(26)23-19-11-5-2-6-12-19/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,22,25)(H,23,26)
InChIKeyAOFDBOPUGUYPQX-UHFFFAOYSA-N
XLogP3.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide (CID 646128) is 1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide is O=C(NCCc1ccccc1)C1CCCN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of 1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The InChIKey is AOFDBOPUGUYPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20(22-14-13-17-8-3-1-4-9-17)18-10-7-15-24(16-18)21(26)23-19-11-5-2-6-12-19/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,22,25)(H,23,26).
What are the key properties of 1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 646128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).