(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C17H23FN2O — CID 115745976

IUPAC(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1cc(F)ccc1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C17H23FN2O/c1-13-12-14(18)4-5-16(13)17(21)20-10-6-15(7-11-20)19-8-2-3-9-19/h4-5,12,15H,2-3,6-11H2,1H3
InChIKeyWSZSARTYUQZHTH-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.83
Rot. Bonds2

About (4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 115745976) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID115745976
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1cc(F)ccc1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C17H23FN2O/c1-13-12-14(18)4-5-16(13)17(21)20-10-6-15(7-11-20)19-8-2-3-9-19/h4-5,12,15H,2-3,6-11H2,1H3
InChIKeyWSZSARTYUQZHTH-UHFFFAOYSA-N
XLogP2.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61042349
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 75977527
(4-fluoro-2-methylphenyl)-[(7R)-7-methyl-1,1-dioxo-1,4-thiazepan-4-yl]methanone
CID 124624079
[4-(azepan-1-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110667097
(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373
2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 126671603
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449
1-[4-(4-fluoro-2-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 115745793

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 115745976) is (4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is Cc1cc(F)ccc1C(=O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is WSZSARTYUQZHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-13-12-14(18)4-5-16(13)17(21)20-10-6-15(7-11-20)19-8-2-3-9-19/h4-5,12,15H,2-3,6-11H2,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 290.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 115745976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).