(5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one

C19H25N3O3 — CID 134701916

IUPAC(5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one
SMILESO=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCCCCC1
InChIInChI=1S/C19H25N3O3/c23-16-13-25-18(19(24)21-10-3-1-2-4-11-21)17(22(16)15-7-8-15)14-6-5-9-20-12-14/h5-6,9,12,15,17-18H,1-4,7-8,10-11,13H2/t17-,18+/m1/s1
InChIKeyNJTXHJMROOTRAE-MSOLQXFVSA-N
MW343.43 g/mol
LogP1.92
Rot. Bonds3

About (5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one

(5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one (PubChem CID 134701916) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one
PubChem CID134701916
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one
SMILESO=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCCCCC1
InChIInChI=1S/C19H25N3O3/c23-16-13-25-18(19(24)21-10-3-1-2-4-11-21)17(22(16)15-7-8-15)14-6-5-9-20-12-14/h5-6,9,12,15,17-18H,1-4,7-8,10-11,13H2/t17-,18+/m1/s1
InChIKeyNJTXHJMROOTRAE-MSOLQXFVSA-N
XLogP1.92
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,6S)-6-(4-acetylpiperazine-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one
CID 134713313
(5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one
CID 134704558
(5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one
CID 134695661
methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 157014008
(5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one
CID 163315519
acetic acid;(5R,6S)-4-cyclopropyl-6-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-pyridin-3-ylmorpholin-3-one
CID 163341021
(2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134699988
(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide
CID 134709742
(2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134709598
(2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134699606
(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134706530
(2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134709167

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one?
The IUPAC name of (5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one (CID 134701916) is (5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one.
What is the SMILES notation for (5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one?
The canonical SMILES for (5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one is O=C([C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)N1CCCCCC1.
What is the InChIKey of (5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one?
The InChIKey is NJTXHJMROOTRAE-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-16-13-25-18(19(24)21-10-3-1-2-4-11-21)17(22(16)15-7-8-15)14-6-5-9-20-12-14/h5-6,9,12,15,17-18H,1-4,7-8,10-11,13H2/t17-,18+/m1/s1.
What are the key properties of (5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one?
(5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one has a molecular weight of 343.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one is sourced from PubChem (CID 134701916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).