1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one

C17H24N2O2 — CID 63170231

IUPAC1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C17H24N2O2/c20-17(12-15-4-2-1-3-5-15)14-18-7-6-16(13-18)19-8-10-21-11-9-19/h1-5,16H,6-14H2
InChIKeyDZWBAMVMPKUABA-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.20
Rot. Bonds5

About 1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one

1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one (PubChem CID 63170231) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one
PubChem CID63170231
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C17H24N2O2/c20-17(12-15-4-2-1-3-5-15)14-18-7-6-16(13-18)19-8-10-21-11-9-19/h1-5,16H,6-14H2
InChIKeyDZWBAMVMPKUABA-UHFFFAOYSA-N
XLogP1.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170720
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
CID 62063106
1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170584
4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid
CID 17369370
1-(4-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170407
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 63170170
(E)-3-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)but-2-enoic acid
CID 55237498
4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine
CID 63170781
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170628
1-(4-methylazepan-1-yl)-3-phenylpropan-2-one
CID 63623746
[(3S,5S)-1-benzyl-5-morpholin-4-ylpiperidin-3-yl]carbamic acid
CID 155094277

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one?
The IUPAC name of 1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one (CID 63170231) is 1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one is O=C(Cc1ccccc1)CN1CCC(N2CCOCC2)C1.
What is the InChIKey of 1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one?
The InChIKey is DZWBAMVMPKUABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(12-15-4-2-1-3-5-15)14-18-7-6-16(13-18)19-8-10-21-11-9-19/h1-5,16H,6-14H2.
What are the key properties of 1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one?
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one has a molecular weight of 288.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-2-one is sourced from PubChem (CID 63170231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).