1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one

C22H35N3O2 — CID 70738677

IUPAC1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)CCCN2CCOCC2)cc1
InChIInChI=1S/C22H35N3O2/c1-23(2)18-19-8-10-20(11-9-19)21-6-3-4-13-25(21)22(26)7-5-12-24-14-16-27-17-15-24/h8-11,21H,3-7,12-18H2,1-2H3
InChIKeyWSPXPNBKICUTOC-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.91
Rot. Bonds7

About 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one

1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one (PubChem CID 70738677) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
PubChem CID70738677
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)CCCN2CCOCC2)cc1
InChIInChI=1S/C22H35N3O2/c1-23(2)18-19-8-10-20(11-9-19)21-6-3-4-13-25(21)22(26)7-5-12-24-14-16-27-17-15-24/h8-11,21H,3-7,12-18H2,1-2H3
InChIKeyWSPXPNBKICUTOC-UHFFFAOYSA-N
XLogP2.91
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56873767
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70761404
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 70774951
3-(benzenesulfonyl)-1-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]propan-1-one
CID 131916904
5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 118772835
5-[3-[(2S)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 125168640
(4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 70769553
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70709336
4-[2-[4-[(dimethylamino)methyl]phenyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70719498
[(2S)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97190267
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70706627
1-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-2-(2H-tetrazol-5-yl)ethanone
CID 56758889

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one?
The IUPAC name of 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one (CID 70738677) is 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one?
The canonical SMILES for 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one is CN(C)Cc1ccc(C2CCCCN2C(=O)CCCN2CCOCC2)cc1.
What is the InChIKey of 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one?
The InChIKey is WSPXPNBKICUTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-23(2)18-19-8-10-20(11-9-19)21-6-3-4-13-25(21)22(26)7-5-12-24-14-16-27-17-15-24/h8-11,21H,3-7,12-18H2,1-2H3.
What are the key properties of 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one?
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one has a molecular weight of 373.54 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 70738677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).