(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone

C18H21FN2O — CID 125158443

IUPAC(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC[C@H]2c2cccc(F)c2)ccn1C
InChIInChI=1S/C18H21FN2O/c1-13-16(9-11-20(13)2)18(22)21-10-4-3-8-17(21)14-6-5-7-15(19)12-14/h5-7,9,11-12,17H,3-4,8,10H2,1-2H3/t17-/m0/s1
InChIKeyZEODLSSMQQDPTI-KRWDZBQOSA-N
MW300.38 g/mol
LogP3.84
Rot. Bonds2

About (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone

(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 125158443) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone
PubChem CID125158443
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC[C@H]2c2cccc(F)c2)ccn1C
InChIInChI=1S/C18H21FN2O/c1-13-16(9-11-20(13)2)18(22)21-10-4-3-8-17(21)14-6-5-7-15(19)12-14/h5-7,9,11-12,17H,3-4,8,10H2,1-2H3/t17-/m0/s1
InChIKeyZEODLSSMQQDPTI-KRWDZBQOSA-N
XLogP3.84
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(3-fluorophenyl)azepane-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 91793434
(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
[2-(3-fluorophenyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 70712664
[2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70761274
[2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 91838120
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 96572952
6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 91791269
(2-chloro-6-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747030
[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(3-fluorophenyl)azepan-1-yl]methanone
CID 126444823
(2-bromo-4-methylphenyl)-[2-(3-fluorophenyl)azetidin-1-yl]methanone
CID 166183980

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone (CID 125158443) is (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCCC[C@H]2c2cccc(F)c2)ccn1C.
What is the InChIKey of (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone?
The InChIKey is ZEODLSSMQQDPTI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-13-16(9-11-20(13)2)18(22)21-10-4-3-8-17(21)14-6-5-7-15(19)12-14/h5-7,9,11-12,17H,3-4,8,10H2,1-2H3/t17-/m0/s1.
What are the key properties of (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone?
(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone has a molecular weight of 300.38 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 125158443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).