3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one

C23H29ClN2O3 — CID 42415670

IUPAC3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CC[C@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1)N1CCOCC1
InChIInChI=1S/C23H29ClN2O3/c24-20-6-4-19(5-7-20)22-9-8-21(29-22)17-25-11-1-2-18(16-25)3-10-23(27)26-12-14-28-15-13-26/h4-9,18H,1-3,10-17H2/t18-/m1/s1
InChIKeyZYDMYQAFPVQPPO-GOSISDBHSA-N
MW416.95 g/mol
LogP4.45
Rot. Bonds6

About 3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one

3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 42415670) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID42415670
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CC[C@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1)N1CCOCC1
InChIInChI=1S/C23H29ClN2O3/c24-20-6-4-19(5-7-20)22-9-8-21(29-22)17-25-11-1-2-18(16-25)3-10-23(27)26-12-14-28-15-13-26/h4-9,18H,1-3,10-17H2/t18-/m1/s1
InChIKeyZYDMYQAFPVQPPO-GOSISDBHSA-N
XLogP4.45
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45227276
1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one
CID 72868778
3-[(3R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 26401954
[1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol
CID 60642590
3-[(3R)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 26327720
3-[1-[[3-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 45192917
3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45187219
3-[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42404378
3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 45210083
1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one
CID 45196701
(3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide
CID 95093847
(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
CID 93072696

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one (CID 42415670) is 3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one is O=C(CC[C@H]1CCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1)N1CCOCC1.
What is the InChIKey of 3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZYDMYQAFPVQPPO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c24-20-6-4-19(5-7-20)22-9-8-21(29-22)17-25-11-1-2-18(16-25)3-10-23(27)26-12-14-28-15-13-26/h4-9,18H,1-3,10-17H2/t18-/m1/s1.
What are the key properties of 3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 416.95 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 42415670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).