3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one

C16H28N2O3 — CID 95173074

IUPAC3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)12-14(19)18-7-5-4-6-13(18)15(20)17-8-10-21-11-9-17/h13H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyVRTVYGGGYDMBIH-ZDUSSCGKSA-N
MW296.41 g/mol
LogP1.66
Rot. Bonds2

About 3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one

3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 95173074) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID95173074
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)12-14(19)18-7-5-4-6-13(18)15(20)17-8-10-21-11-9-17/h13H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyVRTVYGGGYDMBIH-ZDUSSCGKSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(Cyclopropylmethyl)-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
CID 124045067
3-Methyl-1-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-YL]butan-1-one
CID 124045046
Cyclopropyl-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 124045047
3-Methoxy-1-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-YL]propan-1-one
CID 124045052
8-Cyclopentanecarbonyl-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
CID 124045053
1-[2-Methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 124045057
2-Methyl-1-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-YL]propan-1-one
CID 124075205
2-Methyl-8-(2-methylpropyl)-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
CID 124075208
8-Cyclopentyl-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
CID 124075219
2-(2,6-Dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 56799483
1-[4-(2-Methyl-2-propan-2-ylcyclopropanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 132382062
(4,4-Difluoro-1-methylpiperidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone
CID 58469379

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one (CID 95173074) is 3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one is CC(C)(C)CC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of 3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is VRTVYGGGYDMBIH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(2,3)12-14(19)18-7-5-4-6-13(18)15(20)17-8-10-21-11-9-17/h13H,4-12H2,1-3H3/t13-/m0/s1.
What are the key properties of 3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one has a molecular weight of 296.41 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 95173074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).