2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone

C21H25N3O2 — CID 58315539

IUPAC2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone
SMILESO=C(Cc1ccc(C2CNCCO2)cc1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C21H25N3O2/c25-19(18-7-8-21(23-14-18)24-10-1-2-11-24)13-16-3-5-17(6-4-16)20-15-22-9-12-26-20/h3-8,14,20,22H,1-2,9-13,15H2
InChIKeyWYWTWXVPQYTDPK-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.77
Rot. Bonds5

About 2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone

2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone (PubChem CID 58315539) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone
PubChem CID58315539
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone
SMILESO=C(Cc1ccc(C2CNCCO2)cc1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C21H25N3O2/c25-19(18-7-8-21(23-14-18)24-10-1-2-11-24)13-16-3-5-17(6-4-16)20-15-22-9-12-26-20/h3-8,14,20,22H,1-2,9-13,15H2
InChIKeyWYWTWXVPQYTDPK-UHFFFAOYSA-N
XLogP2.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
CID 58315544
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride
CID 160959790
1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 158287543
2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine
CID 174711200
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile
CID 159609526
6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
CID 58315714
1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 160713811
2-[4-(2-pyrrolidin-1-ylethyl)phenyl]morpholine
CID 117405594
2-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanone
CID 158428533
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315627

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone?
The IUPAC name of 2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone (CID 58315539) is 2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone is O=C(Cc1ccc(C2CNCCO2)cc1)c1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone?
The InChIKey is WYWTWXVPQYTDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-19(18-7-8-21(23-14-18)24-10-1-2-11-24)13-16-3-5-17(6-4-16)20-15-22-9-12-26-20/h3-8,14,20,22H,1-2,9-13,15H2.
What are the key properties of 2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone?
2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone has a molecular weight of 351.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 58315539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).