5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one

C20H29N3O3 — CID 72919674

IUPAC5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one
SMILESCCC1(CC)CN(C(=O)C2CCC(=O)N(Cc3ccccn3)C2)CCO1
InChIInChI=1S/C20H29N3O3/c1-3-20(4-2)15-22(11-12-26-20)19(25)16-8-9-18(24)23(13-16)14-17-7-5-6-10-21-17/h5-7,10,16H,3-4,8-9,11-15H2,1-2H3
InChIKeyJYYKPRSJXFKGGV-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.24
Rot. Bonds5

About 5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one

5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one (PubChem CID 72919674) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one
PubChem CID72919674
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one
SMILESCCC1(CC)CN(C(=O)C2CCC(=O)N(Cc3ccccn3)C2)CCO1
InChIInChI=1S/C20H29N3O3/c1-3-20(4-2)15-22(11-12-26-20)19(25)16-8-9-18(24)23(13-16)14-17-7-5-6-10-21-17/h5-7,10,16H,3-4,8-9,11-15H2,1-2H3
InChIKeyJYYKPRSJXFKGGV-UHFFFAOYSA-N
XLogP2.24
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one
CID 25275352
1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 72865091
(5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 26405057
(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 131908824
(3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 42595323
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 45247271
3-methyl-8-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 97275577
formic acid;(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 154913194
(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 42198640
(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97153223
(4S)-4-(4-methylsulfonylpiperazine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 94149560
(4R)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 38474545

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one?
The IUPAC name of 5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one (CID 72919674) is 5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one.
What is the SMILES notation for 5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one?
The canonical SMILES for 5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one is CCC1(CC)CN(C(=O)C2CCC(=O)N(Cc3ccccn3)C2)CCO1.
What is the InChIKey of 5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one?
The InChIKey is JYYKPRSJXFKGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-20(4-2)15-22(11-12-26-20)19(25)16-8-9-18(24)23(13-16)14-17-7-5-6-10-21-17/h5-7,10,16H,3-4,8-9,11-15H2,1-2H3.
What are the key properties of 5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one?
5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one is sourced from PubChem (CID 72919674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).