(2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone

C16H23N3O3 — CID 97203647

IUPAC(2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
SMILESO=C([C@H](c1cccnc1)N1CCOCC1)N1CCCOCC1
InChIInChI=1S/C16H23N3O3/c20-16(19-5-2-9-21-12-8-19)15(14-3-1-4-17-13-14)18-6-10-22-11-7-18/h1,3-4,13,15H,2,5-12H2/t15-/m0/s1
InChIKeyINZWKVIJDOXPAN-HNNXBMFYSA-N
MW305.38 g/mol
LogP0.70
Rot. Bonds3

About (2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone

(2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone (PubChem CID 97203647) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name(2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
PubChem CID97203647
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
SMILESO=C([C@H](c1cccnc1)N1CCOCC1)N1CCCOCC1
InChIInChI=1S/C16H23N3O3/c20-16(19-5-2-9-21-12-8-19)15(14-3-1-4-17-13-14)18-6-10-22-11-7-18/h1,3-4,13,15H,2,5-12H2/t15-/m0/s1
InChIKeyINZWKVIJDOXPAN-HNNXBMFYSA-N
XLogP0.70
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone with MolForge

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Related Compounds

(2R)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203648
2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone
CID 74230397
2-morpholin-4-yl-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 72928474
1-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidin-2-one
CID 71083509
3-[1-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylacetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 97276057
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone
CID 72917291
(2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 97284567
N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 115576612
(2S)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 97277932
N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 56755952

Frequently Asked Questions

What is the IUPAC name of (2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone?
The IUPAC name of (2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone (CID 97203647) is (2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for (2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for (2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone is O=C([C@H](c1cccnc1)N1CCOCC1)N1CCCOCC1.
What is the InChIKey of (2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone?
The InChIKey is INZWKVIJDOXPAN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-16(19-5-2-9-21-12-8-19)15(14-3-1-4-17-13-14)18-6-10-22-11-7-18/h1,3-4,13,15H,2,5-12H2/t15-/m0/s1.
What are the key properties of (2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone?
(2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone has a molecular weight of 305.38 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 97203647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).