3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide

C17H31N3O2 — CID 3222852

IUPAC3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)C1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H31N3O2/c1-3-13(2)18-16(21)14-8-7-11-20(12-14)17(22)19-15-9-5-4-6-10-15/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyNAEJCHLIEYTODR-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.66
Rot. Bonds4

About 3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide

3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide (PubChem CID 3222852) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide
PubChem CID3222852
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)C1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H31N3O2/c1-3-13(2)18-16(21)14-8-7-11-20(12-14)17(22)19-15-9-5-4-6-10-15/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyNAEJCHLIEYTODR-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide (CID 3222852) is 3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide is CCC(C)NC(=O)C1CCCN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of 3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide?
The InChIKey is NAEJCHLIEYTODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-3-13(2)18-16(21)14-8-7-11-20(12-14)17(22)19-15-9-5-4-6-10-15/h13-15H,3-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide?
3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-1-N-cyclohexylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 3222852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).