4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride

C23H29ClFN3O2 — CID 171707965

IUPAC4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1ccc(C2CCN(C(=O)c3cc(CC4CCNC4)ccc3F)CC2)cc1=O
InChIInChI=1S/C23H28FN3O2.ClH/c1-26-9-5-19(14-22(26)28)18-6-10-27(11-7-18)23(29)20-13-16(2-3-21(20)24)12-17-4-8-25-15-17;/h2-3,5,9,13-14,17-18,25H,4,6-8,10-12,15H2,1H3;1H
InChIKeyYLLGFMWYRSWNOM-UHFFFAOYSA-N
MW433.96 g/mol
LogP3.12
Rot. Bonds4

About 4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride

4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride (PubChem CID 171707965) has the molecular formula C23H29ClFN3O2 and a molecular weight of 433.96 g/mol. Its IUPAC name is 4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride
PubChem CID171707965
Molecular FormulaC23H29ClFN3O2
Molecular Weight433.96 g/mol
Exact Mass433.19
IUPAC Name4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride
SMILESCl.Cn1ccc(C2CCN(C(=O)c3cc(CC4CCNC4)ccc3F)CC2)cc1=O
InChIInChI=1S/C23H28FN3O2.ClH/c1-26-9-5-19(14-22(26)28)18-6-10-27(11-7-18)23(29)20-13-16(2-3-21(20)24)12-17-4-8-25-15-17;/h2-3,5,9,13-14,17-18,25H,4,6-8,10-12,15H2,1H3;1H
InChIKeyYLLGFMWYRSWNOM-UHFFFAOYSA-N
XLogP3.12
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride with MolForge

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Related Compounds

9-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 171711095
4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138383113
4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one
CID 137345836
7,8-dihydro-5H-1,6-naphthyridin-6-yl-[2-fluoro-5-(pyrrolidin-3-ylmethyl)phenyl]methanone;dihydrochloride
CID 171325716
1-methyl-4-piperidin-4-ylpyridin-2-one
CID 59627486
(2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride
CID 171361960
1-(4-fluorophenyl)-4-methyl-3-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]pyridin-2-one
CID 172666863
5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 157011868
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171707945
1-methyl-4-[1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidin-4-yl]pyridin-2-one
CID 138381677
[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-[2-(pyrrolidin-3-ylmethyl)phenyl]methanone;dihydrochloride
CID 171324934
(2-fluoro-5-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 171361963

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride?
The IUPAC name of 4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride (CID 171707965) is 4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride.
What is the SMILES notation for 4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride?
The canonical SMILES for 4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride is Cl.Cn1ccc(C2CCN(C(=O)c3cc(CC4CCNC4)ccc3F)CC2)cc1=O.
What is the InChIKey of 4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride?
The InChIKey is YLLGFMWYRSWNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2.ClH/c1-26-9-5-19(14-22(26)28)18-6-10-27(11-7-18)23(29)20-13-16(2-3-21(20)24)12-17-4-8-25-15-17;/h2-3,5,9,13-14,17-18,25H,4,6-8,10-12,15H2,1H3;1H.
What are the key properties of 4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride?
4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride has a molecular weight of 433.96 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]piperidin-4-yl]-1-methylpyridin-2-one;hydrochloride is sourced from PubChem (CID 171707965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).