(3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride

C16H23ClFN3O — CID 154920114

IUPAC(3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccncc1F)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C16H22FN3O.ClH/c17-15-11-19-8-3-14(15)16(21)20-9-4-13(5-10-20)12-1-6-18-7-2-12;/h3,8,11-13,18H,1-2,4-7,9-10H2;1H
InChIKeyGMYMIXCORTVMBZ-UHFFFAOYSA-N
MW327.83 g/mol
LogP2.49
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride

(3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 154920114) has the molecular formula C16H23ClFN3O and a molecular weight of 327.83 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
PubChem CID154920114
Molecular FormulaC16H23ClFN3O
Molecular Weight327.83 g/mol
Exact Mass327.15
IUPAC Name(3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1ccncc1F)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C16H22FN3O.ClH/c17-15-11-19-8-3-14(15)16(21)20-9-4-13(5-10-20)12-1-6-18-7-2-12;/h3,8,11-13,18H,1-2,4-7,9-10H2;1H
InChIKeyGMYMIXCORTVMBZ-UHFFFAOYSA-N
XLogP2.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-pyridinyl)-[4-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidin-1-yl]methanone
CID 155507207
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
[(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
(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
3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
CID 117073389

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride (CID 154920114) is (3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride is Cl.O=C(c1ccncc1F)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is GMYMIXCORTVMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O.ClH/c17-15-11-19-8-3-14(15)16(21)20-9-4-13(5-10-20)12-1-6-18-7-2-12;/h3,8,11-13,18H,1-2,4-7,9-10H2;1H.
What are the key properties of (3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride?
(3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 327.83 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 154920114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).