1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one

C21H26N2O2 — CID 42241699

IUPAC1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCO[C@H](CCCc2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c24-21(10-9-19-11-13-22-14-12-19)23-15-16-25-20(17-23)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,11-14,20H,4,7-10,15-17H2/t20-/m1/s1
InChIKeyKDYHWJQTLGJMJL-HXUWFJFHSA-N
MW338.45 g/mol
LogP3.26
Rot. Bonds7

About 1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one

1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 42241699) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID42241699
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCO[C@H](CCCc2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c24-21(10-9-19-11-13-22-14-12-19)23-15-16-25-20(17-23)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,11-14,20H,4,7-10,15-17H2/t20-/m1/s1
InChIKeyKDYHWJQTLGJMJL-HXUWFJFHSA-N
XLogP3.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 26317752
1-[2-(3-phenylpropyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 45214839
methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
CID 25379116
3-(1,2-oxazolidin-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 42147501
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
3-(3-amino-1H-1,2,4-triazol-5-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 56865446
3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one
CID 45242730
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95553259
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 42395968
3-(oxazinan-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489234
3-(oxazinan-2-yl)-1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489229

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one (CID 42241699) is 1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one is O=C(CCc1ccncc1)N1CCO[C@H](CCCc2ccccc2)C1.
What is the InChIKey of 1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is KDYHWJQTLGJMJL-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-21(10-9-19-11-13-22-14-12-19)23-15-16-25-20(17-23)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,11-14,20H,4,7-10,15-17H2/t20-/m1/s1.
What are the key properties of 1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 338.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 42241699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).