2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone

C17H20FN3O — CID 124979428

IUPAC2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC[C@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C17H20FN3O/c18-15-5-1-3-13(9-15)11-17(22)21-8-2-4-14(12-21)10-16-6-7-19-20-16/h1,3,5-7,9,14H,2,4,8,10-12H2,(H,19,20)/t14-/m1/s1
InChIKeyMBGDAVUMJJPZRL-CQSZACIVSA-N
MW301.36 g/mol
LogP2.57
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 124979428) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
PubChem CID124979428
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC Name2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC[C@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C17H20FN3O/c18-15-5-1-3-13(9-15)11-17(22)21-8-2-4-14(12-21)10-16-6-7-19-20-16/h1,3,5-7,9,14H,2,4,8,10-12H2,(H,19,20)/t14-/m1/s1
InChIKeyMBGDAVUMJJPZRL-CQSZACIVSA-N
XLogP2.57
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid
CID 62690576
(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106358
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124964415
2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124968736
3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one
CID 110106525
1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 112530943
6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115116
3-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]benzoic acid
CID 110106382
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125016000
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124998993

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone (CID 124979428) is 2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCC[C@H](Cc2ccn[nH]2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is MBGDAVUMJJPZRL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-15-5-1-3-13(9-15)11-17(22)21-8-2-4-14(12-21)10-16-6-7-19-20-16/h1,3,5-7,9,14H,2,4,8,10-12H2,(H,19,20)/t14-/m1/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 301.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124979428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).