(3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone

C20H24FN5O2 — CID 155507207

IUPAC(3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC(C2CCN(C(=O)c3ccncc3F)CC2)CC1
InChIInChI=1S/C20H24FN5O2/c21-17-13-22-7-1-16(17)19(27)25-9-3-14(4-10-25)15-5-11-26(12-6-15)20(28)18-2-8-23-24-18/h1-2,7-8,13-15H,3-6,9-12H2,(H,23,24)
InChIKeyKPPAEHKWBGTFNE-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.35
Rot. Bonds3

About (3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone

(3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone (PubChem CID 155507207) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone
PubChem CID155507207
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name(3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC(C2CCN(C(=O)c3ccncc3F)CC2)CC1
InChIInChI=1S/C20H24FN5O2/c21-17-13-22-7-1-16(17)19(27)25-9-3-14(4-10-25)15-5-11-26(12-6-15)20(28)18-2-8-23-24-18/h1-2,7-8,13-15H,3-6,9-12H2,(H,23,24)
InChIKeyKPPAEHKWBGTFNE-UHFFFAOYSA-N
XLogP2.35
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 154920114
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522
[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950641
1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 115646226
(3S)-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124511893
(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 121184189
[3-(chloromethyl)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64956102
(3-fluoro-4-pyridinyl)-[(1S,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 124854532
1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 166600812
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120659128

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone (CID 155507207) is (3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone is O=C(c1ccn[nH]1)N1CCC(C2CCN(C(=O)c3ccncc3F)CC2)CC1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is KPPAEHKWBGTFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-17-13-22-7-1-16(17)19(27)25-9-3-14(4-10-25)15-5-11-26(12-6-15)20(28)18-2-8-23-24-18/h1-2,7-8,13-15H,3-6,9-12H2,(H,23,24).
What are the key properties of (3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone?
(3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 385.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 155507207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).