[4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride

C25H40ClN3O3 — CID 18352938

IUPAC[4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1ccc2c(c1)OCC2.Cl
InChIInChI=1S/C25H39N3O3.ClH/c1-3-9-28(20(2)17-22-4-5-23-8-14-31-24(23)18-22)19-21-6-10-26(11-7-21)25(29)27-12-15-30-16-13-27;/h4-5,18,20-21H,3,6-17,19H2,1-2H3;1H
InChIKeyXTZQVMXEJCTEPZ-UHFFFAOYSA-N
MW466.07 g/mol
LogP3.85
Rot. Bonds7

About [4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride

[4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride (PubChem CID 18352938) has the molecular formula C25H40ClN3O3 and a molecular weight of 466.07 g/mol. Its IUPAC name is [4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride
PubChem CID18352938
Molecular FormulaC25H40ClN3O3
Molecular Weight466.07 g/mol
Exact Mass465.28
IUPAC Name[4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1ccc2c(c1)OCC2.Cl
InChIInChI=1S/C25H39N3O3.ClH/c1-3-9-28(20(2)17-22-4-5-23-8-14-31-24(23)18-22)19-21-6-10-26(11-7-21)25(29)27-12-15-30-16-13-27;/h4-5,18,20-21H,3,6-17,19H2,1-2H3;1H
InChIKeyXTZQVMXEJCTEPZ-UHFFFAOYSA-N
XLogP3.85
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.07
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride
CID 18352815
[4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 15546289
N-[4-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]morpholine-4-carboxamide;hydrochloride
CID 18352743
morpholin-4-yl-[4-[[1-(3-nitrophenyl)propan-2-yl-propylamino]methyl]piperidin-1-yl]methanone
CID 18352913
4-ethyl-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride
CID 18353184
[4-[[[(2S)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)propan-2-yl]-ethylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 70214315
4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide;hydrochloride
CID 18352929
4-fluoro-N-[2-methoxy-5-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]propyl]phenyl]benzamide
CID 18352930
3-amino-1-[4-[[[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-ethylamino]methyl]piperidin-1-yl]propan-1-one
CID 54502007
N-[3-[2-[butyl-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]amino]propyl]phenyl]furan-2-carboxamide;hydrochloride
CID 18353213
4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide
CID 18352959
tert-butyl 4-[[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl-propylamino]methyl]piperidine-1-carboxylate;hydrochloride
CID 18352898

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride?
The IUPAC name of [4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride (CID 18352938) is [4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride?
The canonical SMILES for [4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride is CCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1ccc2c(c1)OCC2.Cl.
What is the InChIKey of [4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride?
The InChIKey is XTZQVMXEJCTEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O3.ClH/c1-3-9-28(20(2)17-22-4-5-23-8-14-31-24(23)18-22)19-21-6-10-26(11-7-21)25(29)27-12-15-30-16-13-27;/h4-5,18,20-21H,3,6-17,19H2,1-2H3;1H.
What are the key properties of [4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride?
[4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride has a molecular weight of 466.07 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 18352938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).