3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one

C19H22FN3O2 — CID 91648000

IUPAC3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNC(c1ccccc1)c1ccc(F)cn1)N1CCOCC1
InChIInChI=1S/C19H22FN3O2/c20-16-6-7-17(22-14-16)19(15-4-2-1-3-5-15)21-9-8-18(24)23-10-12-25-13-11-23/h1-7,14,19,21H,8-13H2
InChIKeyFCKQTZWKGKVYEV-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.15
Rot. Bonds6

About 3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one

3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 91648000) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one
PubChem CID91648000
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNC(c1ccccc1)c1ccc(F)cn1)N1CCOCC1
InChIInChI=1S/C19H22FN3O2/c20-16-6-7-17(22-14-16)19(15-4-2-1-3-5-15)21-9-8-18(24)23-10-12-25-13-11-23/h1-7,14,19,21H,8-13H2
InChIKeyFCKQTZWKGKVYEV-UHFFFAOYSA-N
XLogP2.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(S)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 99777414
3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 114871820
3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 99822392
3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713460
3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713477
1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
CID 115676486
1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
CID 133370153
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115901497
2-[4-[3-(benzhydrylamino)propanoyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile
CID 10365930
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
CID 109018108

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one (CID 91648000) is 3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one is O=C(CCNC(c1ccccc1)c1ccc(F)cn1)N1CCOCC1.
What is the InChIKey of 3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is FCKQTZWKGKVYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-16-6-7-17(22-14-16)19(15-4-2-1-3-5-15)21-9-8-18(24)23-10-12-25-13-11-23/h1-7,14,19,21H,8-13H2.
What are the key properties of 3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one?
3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 343.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-fluoro-2-pyridinyl)-phenylmethyl]amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 91648000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).