1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one

C19H24FN3O — CID 95557612

IUPAC1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CCC[C@@H](CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H24FN3O/c20-18-8-6-16(7-9-18)4-5-17-3-1-12-22(15-17)19(24)10-14-23-13-2-11-21-23/h2,6-9,11,13,17H,1,3-5,10,12,14-15H2/t17-/m0/s1
InChIKeyMONWNJQHDHTYIP-KRWDZBQOSA-N
MW329.42 g/mol
LogP3.28
Rot. Bonds6

About 1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one

1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one (PubChem CID 95557612) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
PubChem CID95557612
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CCC[C@@H](CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H24FN3O/c20-18-8-6-16(7-9-18)4-5-17-3-1-12-22(15-17)19(24)10-14-23-13-2-11-21-23/h2,6-9,11,13,17H,1,3-5,10,12,14-15H2/t17-/m0/s1
InChIKeyMONWNJQHDHTYIP-KRWDZBQOSA-N
XLogP3.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 45219675
1-[2-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 95403136
3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95707410
2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 154892363
1-[(3R)-3-(2-phenylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 26394446
2-(dimethylamino)-1-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95549011
1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 45196713
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95542975
(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550749
1-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 42593959
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 95556318
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56872964

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one (CID 95557612) is 1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one is O=C(CCn1cccn1)N1CCC[C@@H](CCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The InChIKey is MONWNJQHDHTYIP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24FN3O/c20-18-8-6-16(7-9-18)4-5-17-3-1-12-22(15-17)19(24)10-14-23-13-2-11-21-23/h2,6-9,11,13,17H,1,3-5,10,12,14-15H2/t17-/m0/s1.
What are the key properties of 1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one has a molecular weight of 329.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 95557612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).