(5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate

C19H27NO3 — CID 174584805

IUPAC(5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate
SMILESCCC1CC(=O)C(Cc2ccccc2)CN1OC(=O)C(C)(C)C
InChIInChI=1S/C19H27NO3/c1-5-16-12-17(21)15(11-14-9-7-6-8-10-14)13-20(16)23-18(22)19(2,3)4/h6-10,15-16H,5,11-13H2,1-4H3
InChIKeyDHBRPLBKFGJGAJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.40
Rot. Bonds4

About (5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate

(5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate (PubChem CID 174584805) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate
PubChem CID174584805
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate
SMILESCCC1CC(=O)C(Cc2ccccc2)CN1OC(=O)C(C)(C)C
InChIInChI=1S/C19H27NO3/c1-5-16-12-17(21)15(11-14-9-7-6-8-10-14)13-20(16)23-18(22)19(2,3)4/h6-10,15-16H,5,11-13H2,1-4H3
InChIKeyDHBRPLBKFGJGAJ-UHFFFAOYSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S,5R)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate
CID 59614349
(4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 175316100
propan-2-yl (2S)-2-benzyl-5-ethyl-3-oxopyrrolidine-1-carboxylate
CID 59614420
[4-benzyl-2-(naphthalen-2-ylmethyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174436676
[3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174881651
tert-butyl (2S)-2-benzyl-4-oxoazetidine-1-carboxylate
CID 95898027
tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate
CID 175596154
tert-butyl (2S,4R)-4-benzyl-5-oxopyrrolidine-2-carboxylate
CID 14504091
1-O-tert-butyl 2-O-ethyl (2S,4S)-4-benzyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 10948010
S-ethyl 3-benzyl-2-oxocyclopentane-1-carbothioate
CID 12644937
tert-butyl (2S,5S)-2-benzyl-5-(hydroxymethyl)-3-oxopiperazine-1-carboxylate
CID 15222507
tert-butyl (3S,5R)-5-benzyl-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 71573510

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate (CID 174584805) is (5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate is CCC1CC(=O)C(Cc2ccccc2)CN1OC(=O)C(C)(C)C.
What is the InChIKey of (5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate?
The InChIKey is DHBRPLBKFGJGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-5-16-12-17(21)15(11-14-9-7-6-8-10-14)13-20(16)23-18(22)19(2,3)4/h6-10,15-16H,5,11-13H2,1-4H3.
What are the key properties of (5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate?
(5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate has a molecular weight of 317.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 174584805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).