3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one

C27H36N4O3 — CID 10288591

IUPAC3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one
SMILESCCC(c1nc2occc2c(=O)n1Cc1ccccc1)N1CCC(C(C)N2CCOCC2)CC1
InChIInChI=1S/C27H36N4O3/c1-3-24(30-12-9-22(10-13-30)20(2)29-14-17-33-18-15-29)25-28-26-23(11-16-34-26)27(32)31(25)19-21-7-5-4-6-8-21/h4-8,11,16,20,22,24H,3,9-10,12-15,17-19H2,1-2H3
InChIKeyIHELATHHFZKFLN-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.92
Rot. Bonds7

About 3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one

3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one (PubChem CID 10288591) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is 3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one
PubChem CID10288591
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC Name3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one
SMILESCCC(c1nc2occc2c(=O)n1Cc1ccccc1)N1CCC(C(C)N2CCOCC2)CC1
InChIInChI=1S/C27H36N4O3/c1-3-24(30-12-9-22(10-13-30)20(2)29-14-17-33-18-15-29)25-28-26-23(11-16-34-26)27(32)31(25)19-21-7-5-4-6-8-21/h4-8,11,16,20,22,24H,3,9-10,12-15,17-19H2,1-2H3
InChIKeyIHELATHHFZKFLN-UHFFFAOYSA-N
XLogP3.92
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-benzyl-2-[1-(1,4-diazepan-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
CID 10172468
3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one
CID 10126595
3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one
CID 22058093
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714908
3-benzyl-6-fluoro-2-[1-(4-methylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 10237664
3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
CID 10238423
N-[1-(3-benzyl-4-oxofuro[2,3-d]pyrimidin-2-yl)propyl]-4-bromo-N-[2-(dimethylamino)ethyl]benzamide
CID 10239605
2-[1-[2-aminoethyl-[(2-methoxypyrimidin-5-yl)methyl]amino]propyl]-3-benzylfuro[2,3-d]pyrimidin-4-one
CID 10195109
3-benzyl-2-[2-cyclopropyl-1-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 10173102
4-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]phenol
CID 95894012
2-[1-[2-aminoethyl-[(6-methoxy-3-pyridinyl)methyl]amino]propyl]-3-benzylfuro[2,3-d]pyrimidin-4-one
CID 10310448
2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid
CID 97200460

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one (CID 10288591) is 3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one is CCC(c1nc2occc2c(=O)n1Cc1ccccc1)N1CCC(C(C)N2CCOCC2)CC1.
What is the InChIKey of 3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one?
The InChIKey is IHELATHHFZKFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-3-24(30-12-9-22(10-13-30)20(2)29-14-17-33-18-15-29)25-28-26-23(11-16-34-26)27(32)31(25)19-21-7-5-4-6-8-21/h4-8,11,16,20,22,24H,3,9-10,12-15,17-19H2,1-2H3.
What are the key properties of 3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one?
3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one has a molecular weight of 464.61 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propyl]furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 10288591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).