1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide

C17H31N3O2 — CID 110279195

IUPAC1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NC2CCCCC2CN(C)C)C1
InChIInChI=1S/C17H31N3O2/c1-13(21)20-10-6-8-15(12-20)17(22)18-16-9-5-4-7-14(16)11-19(2)3/h14-16H,4-12H2,1-3H3,(H,18,22)
InChIKeyGUEYPQZTFIQYIH-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.48
Rot. Bonds4

About 1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide

1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide (PubChem CID 110279195) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide
PubChem CID110279195
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NC2CCCCC2CN(C)C)C1
InChIInChI=1S/C17H31N3O2/c1-13(21)20-10-6-8-15(12-20)17(22)18-16-9-5-4-7-14(16)11-19(2)3/h14-16H,4-12H2,1-3H3,(H,18,22)
InChIKeyGUEYPQZTFIQYIH-UHFFFAOYSA-N
XLogP1.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide (CID 110279195) is 1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NC2CCCCC2CN(C)C)C1.
What is the InChIKey of 1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide?
The InChIKey is GUEYPQZTFIQYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-13(21)20-10-6-8-15(12-20)17(22)18-16-9-5-4-7-14(16)11-19(2)3/h14-16H,4-12H2,1-3H3,(H,18,22).
What are the key properties of 1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide?
1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-[(dimethylamino)methyl]cyclohexyl]piperidine-3-carboxamide is sourced from PubChem (CID 110279195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).