[6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone

C20H23N3O2 — CID 164638802

IUPAC[6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone
SMILESO=C(c1ccc(N2CCC2)nc1)N1CCOC[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H23N3O2/c24-20(17-7-8-19(21-14-17)22-9-4-10-22)23-11-12-25-15-18(23)13-16-5-2-1-3-6-16/h1-3,5-8,14,18H,4,9-13,15H2/t18-/m0/s1
InChIKeyFPFUTCFNPDIEQE-SFHVURJKSA-N
MW337.42 g/mol
LogP2.38
Rot. Bonds4

About [6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone

[6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone (PubChem CID 164638802) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is [6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone
PubChem CID164638802
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name[6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone
SMILESO=C(c1ccc(N2CCC2)nc1)N1CCOC[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H23N3O2/c24-20(17-7-8-19(21-14-17)22-9-4-10-22)23-11-12-25-15-18(23)13-16-5-2-1-3-6-16/h1-3,5-8,14,18H,4,9-13,15H2/t18-/m0/s1
InChIKeyFPFUTCFNPDIEQE-SFHVURJKSA-N
XLogP2.38
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 129469980
1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one
CID 14320533
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
(2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid
CID 125120657
(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 66464852
1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 154778636
morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone
CID 135111291
[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153468

Frequently Asked Questions

What is the IUPAC name of [6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone?
The IUPAC name of [6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone (CID 164638802) is [6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone.
What is the SMILES notation for [6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone?
The canonical SMILES for [6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone is O=C(c1ccc(N2CCC2)nc1)N1CCOC[C@@H]1Cc1ccccc1.
What is the InChIKey of [6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone?
The InChIKey is FPFUTCFNPDIEQE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(17-7-8-19(21-14-17)22-9-4-10-22)23-11-12-25-15-18(23)13-16-5-2-1-3-6-16/h1-3,5-8,14,18H,4,9-13,15H2/t18-/m0/s1.
What are the key properties of [6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone?
[6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone is sourced from PubChem (CID 164638802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).