3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one

C18H26ClN3O3 — CID 162461539

IUPAC3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one
SMILESCC(C)(C)C1CC(O)CN(c2cc(Cl)cc(N3CCOCC3)n2)C1=O
InChIInChI=1S/C18H26ClN3O3/c1-18(2,3)14-10-13(23)11-22(17(14)24)16-9-12(19)8-15(20-16)21-4-6-25-7-5-21/h8-9,13-14,23H,4-7,10-11H2,1-3H3
InChIKeyOMKNBXLTOBZBLB-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.33
Rot. Bonds2

About 3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one

3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one (PubChem CID 162461539) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one
PubChem CID162461539
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one
SMILESCC(C)(C)C1CC(O)CN(c2cc(Cl)cc(N3CCOCC3)n2)C1=O
InChIInChI=1S/C18H26ClN3O3/c1-18(2,3)14-10-13(23)11-22(17(14)24)16-9-12(19)8-15(20-16)21-4-6-25-7-5-21/h8-9,13-14,23H,4-7,10-11H2,1-3H3
InChIKeyOMKNBXLTOBZBLB-UHFFFAOYSA-N
XLogP2.33
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one
CID 161185733
(4R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-4-methylpyrrolidin-2-one;4-(4,6-dichloro-2-pyridinyl)morpholine;(4R)-4-methylpyrrolidin-2-one
CID 169429289
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol
CID 90456839
2-amino-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone
CID 164974271
3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride
CID 153408830
1-tert-butyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]thiourea
CID 100776350
1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122295155
(3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 67953165
2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 137130492
4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine
CID 175051525
4-chloro-6-morpholin-4-ylpyridin-2-amine;cyclopropylboronic acid;4-cyclopropyl-6-morpholin-4-ylpyridin-2-amine
CID 163546274
1-[(4-chlorophenyl)methyl]-3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]thiourea
CID 100781528

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one?
The IUPAC name of 3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one (CID 162461539) is 3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one.
What is the SMILES notation for 3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one?
The canonical SMILES for 3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one is CC(C)(C)C1CC(O)CN(c2cc(Cl)cc(N3CCOCC3)n2)C1=O.
What is the InChIKey of 3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one?
The InChIKey is OMKNBXLTOBZBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-18(2,3)14-10-13(23)11-22(17(14)24)16-9-12(19)8-15(20-16)21-4-6-25-7-5-21/h8-9,13-14,23H,4-7,10-11H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one?
3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one has a molecular weight of 367.88 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5-hydroxypiperidin-2-one is sourced from PubChem (CID 162461539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).