(2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate

C14H25NO3 — CID 174641102

IUPAC(2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate
SMILESCCC1CC(=O)CC(CC)N1OC(=O)C(C)(C)C
InChIInChI=1S/C14H25NO3/c1-6-10-8-12(16)9-11(7-2)15(10)18-13(17)14(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyKJPSQFNWLHSSCP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.71
Rot. Bonds3

About (2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate

(2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate (PubChem CID 174641102) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate
PubChem CID174641102
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate
SMILESCCC1CC(=O)CC(CC)N1OC(=O)C(C)(C)C
InChIInChI=1S/C14H25NO3/c1-6-10-8-12(16)9-11(7-2)15(10)18-13(17)14(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyKJPSQFNWLHSSCP-UHFFFAOYSA-N
XLogP2.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate
CID 174596328
(5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate
CID 174584805
2-ethyl-1-hydroxy-6-propylpiperidin-4-one
CID 154933974
[(2S)-2-(aminomethyl)-5-oxopyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174736066
methyl (2R)-2-ethyl-4-oxopiperidine-1-carboxylate
CID 131585229
methyl 2-ethyl-4-oxopiperidine-1-carboxylate
CID 86049669
propan-2-yl (2S,6R)-2-ethyl-4-oxo-6-propylpiperidine-1-carboxylate
CID 143612412
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
[2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate
CID 168867812
tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate
CID 42645909
[4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate
CID 174584882
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295

Frequently Asked Questions

What is the IUPAC name of (2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate (CID 174641102) is (2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate is CCC1CC(=O)CC(CC)N1OC(=O)C(C)(C)C.
What is the InChIKey of (2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate?
The InChIKey is KJPSQFNWLHSSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-10-8-12(16)9-11(7-2)15(10)18-13(17)14(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of (2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate?
(2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate has a molecular weight of 255.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 174641102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).