[2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone

C27H31N3O3 — CID 132779340

IUPAC[2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone
SMILESCN(C)CCOc1ccc(C(=O)N2CCOC(c3cccc(Cc4ccccc4)n3)C2)cc1
InChIInChI=1S/C27H31N3O3/c1-29(2)15-17-32-24-13-11-22(12-14-24)27(31)30-16-18-33-26(20-30)25-10-6-9-23(28-25)19-21-7-4-3-5-8-21/h3-14,26H,15-20H2,1-2H3
InChIKeySRPFSGABTCCVOV-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.83
Rot. Bonds8

About [2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone

[2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone (PubChem CID 132779340) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is [2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone.

Molecular Properties

Compound Name[2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone
PubChem CID132779340
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name[2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone
SMILESCN(C)CCOc1ccc(C(=O)N2CCOC(c3cccc(Cc4ccccc4)n3)C2)cc1
InChIInChI=1S/C27H31N3O3/c1-29(2)15-17-32-24-13-11-22(12-14-24)27(31)30-16-18-33-26(20-30)25-10-6-9-23(28-25)19-21-7-4-3-5-8-21/h3-14,26H,15-20H2,1-2H3
InChIKeySRPFSGABTCCVOV-UHFFFAOYSA-N
XLogP3.83
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone
CID 124991440
[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124976913
[(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 125020350
[(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124990500
[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone
CID 124970106
[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone
CID 92611268
1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 127250033
[4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474800
4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one
CID 127250123
[2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone
CID 110271867
[(2R)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124949019
[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 124963764

Frequently Asked Questions

What is the IUPAC name of [2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone?
The IUPAC name of [2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone (CID 132779340) is [2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone.
What is the SMILES notation for [2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone?
The canonical SMILES for [2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone is CN(C)CCOc1ccc(C(=O)N2CCOC(c3cccc(Cc4ccccc4)n3)C2)cc1.
What is the InChIKey of [2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone?
The InChIKey is SRPFSGABTCCVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-29(2)15-17-32-24-13-11-22(12-14-24)27(31)30-16-18-33-26(20-30)25-10-6-9-23(28-25)19-21-7-4-3-5-8-21/h3-14,26H,15-20H2,1-2H3.
What are the key properties of [2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone?
[2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone has a molecular weight of 445.56 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone is sourced from PubChem (CID 132779340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).