1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide

C15H27N3O2 — CID 45352967

IUPAC1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
SMILESCC1CCCC(C)N1C(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C15H27N3O2/c1-11-4-3-5-12(2)18(11)14(19)10-17-8-6-13(7-9-17)15(16)20/h11-13H,3-10H2,1-2H3,(H2,16,20)
InChIKeyJWBBOBANFOBDAE-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.97
Rot. Bonds3

About 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 45352967) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID45352967
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
SMILESCC1CCCC(C)N1C(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C15H27N3O2/c1-11-4-3-5-12(2)18(11)14(19)10-17-8-6-13(7-9-17)15(16)20/h11-13H,3-10H2,1-2H3,(H2,16,20)
InChIKeyJWBBOBANFOBDAE-UHFFFAOYSA-N
XLogP0.97
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide (CID 45352967) is 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide is CC1CCCC(C)N1C(=O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is JWBBOBANFOBDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11-4-3-5-12(2)18(11)14(19)10-17-8-6-13(7-9-17)15(16)20/h11-13H,3-10H2,1-2H3,(H2,16,20).
What are the key properties of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 45352967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).