1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one

C16H18N2O2S — CID 124986253

IUPAC1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCO[C@H](c2ccncc2)C1
InChIInChI=1S/C16H18N2O2S/c19-16(4-3-14-2-1-11-21-14)18-9-10-20-15(12-18)13-5-7-17-8-6-13/h1-2,5-8,11,15H,3-4,9-10,12H2/t15-/m0/s1
InChIKeyNXEVNCQWWKDASC-HNNXBMFYSA-N
MW302.40 g/mol
LogP2.68
Rot. Bonds4

About 1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one

1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 124986253) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID124986253
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCO[C@H](c2ccncc2)C1
InChIInChI=1S/C16H18N2O2S/c19-16(4-3-14-2-1-11-21-14)18-9-10-20-15(12-18)13-5-7-17-8-6-13/h1-2,5-8,11,15H,3-4,9-10,12H2/t15-/m0/s1
InChIKeyNXEVNCQWWKDASC-HNNXBMFYSA-N
XLogP2.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110364040
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
CID 127246266
1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124975891
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110363977
1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 51641442
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124960617
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124979682
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 47913307
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102568
1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 110102530
3-[methyl(pyridin-3-ylmethyl)amino]-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102620

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one (CID 124986253) is 1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)N1CCO[C@H](c2ccncc2)C1.
What is the InChIKey of 1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is NXEVNCQWWKDASC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-16(4-3-14-2-1-11-21-14)18-9-10-20-15(12-18)13-5-7-17-8-6-13/h1-2,5-8,11,15H,3-4,9-10,12H2/t15-/m0/s1.
What are the key properties of 1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 302.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 124986253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).