(3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone

C12H22N2O2 — CID 115592934

IUPAC(3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone
SMILESCC1(C)COCCN1C(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O2/c1-12(2)10-16-9-8-14(12)11(15)13-6-4-3-5-7-13/h3-10H2,1-2H3
InChIKeyGNJZWCLOLKGXBS-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.70
Rot. Bonds

About (3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone

(3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone (PubChem CID 115592934) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone
PubChem CID115592934
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone
SMILESCC1(C)COCCN1C(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O2/c1-12(2)10-16-9-8-14(12)11(15)13-6-4-3-5-7-13/h3-10H2,1-2H3
InChIKeyGNJZWCLOLKGXBS-UHFFFAOYSA-N
XLogP1.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-dimethylmorpholin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 116654559
1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63124235
1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 63127056
1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55230340
1-(3,3-dimethylmorpholine-4-carbonyl)-4-(2-methylpropyl)piperidine-4-carboxylic acid
CID 166279333
(2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 55149679
(2R)-1-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropan-1-one
CID 126987422
azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 79152217
(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 78973108
2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61428037
2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889976
(2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102945062

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone (CID 115592934) is (3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone is CC1(C)COCCN1C(=O)N1CCCCC1.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone?
The InChIKey is GNJZWCLOLKGXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2)10-16-9-8-14(12)11(15)13-6-4-3-5-7-13/h3-10H2,1-2H3.
What are the key properties of (3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone?
(3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone has a molecular weight of 226.32 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 115592934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).