1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one

C19H24FN3O — CID 45198765

IUPAC1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESO=C(CCc1cn[nH]c1)N1CCCC(CCc2cccc(F)c2)C1
InChIInChI=1S/C19H24FN3O/c20-18-5-1-3-15(11-18)6-7-16-4-2-10-23(14-16)19(24)9-8-17-12-21-22-13-17/h1,3,5,11-13,16H,2,4,6-10,14H2,(H,21,22)
InChIKeyRWHMBLNIZHBSAK-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.35
Rot. Bonds6

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

1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one (PubChem CID 45198765) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
PubChem CID45198765
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESO=C(CCc1cn[nH]c1)N1CCCC(CCc2cccc(F)c2)C1
InChIInChI=1S/C19H24FN3O/c20-18-5-1-3-15(11-18)6-7-16-4-2-10-23(14-16)19(24)9-8-17-12-21-22-13-17/h1,3,5,11-13,16H,2,4,6-10,14H2,(H,21,22)
InChIKeyRWHMBLNIZHBSAK-UHFFFAOYSA-N
XLogP3.35
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-6-keto-N-[2-(1H-pyrazol-4-yl)ethyl]nipecotamide
CID 24794338
4-Benzyl-1-[3-(1H-pyrazol-4-yl)-prop-2-ynyl]-piperidine
CID 44327493
4-Benzyl-1-[4-(1H-pyrazol-4-yl)-but-3-ynyl]-piperidine
CID 44327626
(4-cyclobutylpiperazin-1-yl)-[(1S)-2-[4-(1H-pyrazol-4-yl)phenyl]cyclopropyl]methanone
CID 57618982
1-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56879396
[3-(4-Fluorophenyl)-2,2-dimethylcyclopropyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 145969671
3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide
CID 50948971
3-(3,5-dimethylphenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 50977193
(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-(1H-pyrazol-4-yl)prop-2-enamide
CID 52915265
(2S)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56753036
(2R)-2-amino-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56754211
2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 72849097

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one (CID 45198765) is 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one is O=C(CCc1cn[nH]c1)N1CCCC(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The InChIKey is RWHMBLNIZHBSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c20-18-5-1-3-15(11-18)6-7-16-4-2-10-23(14-16)19(24)9-8-17-12-21-22-13-17/h1,3,5,11-13,16H,2,4,6-10,14H2,(H,21,22).
What are the key properties of 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one has a molecular weight of 329.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one is sourced from PubChem (CID 45198765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).