(1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone

C19H24N2O — CID 72938900

IUPAC(1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCCC(C)(c3ccccc3)C2)ccn1C
InChIInChI=1S/C19H24N2O/c1-15-17(10-13-20(15)3)18(22)21-12-7-11-19(2,14-21)16-8-5-4-6-9-16/h4-6,8-10,13H,7,11-12,14H2,1-3H3
InChIKeyYNDBNONDFFBLOV-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.53
Rot. Bonds2

About (1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone

(1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone (PubChem CID 72938900) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone
PubChem CID72938900
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCCC(C)(c3ccccc3)C2)ccn1C
InChIInChI=1S/C19H24N2O/c1-15-17(10-13-20(15)3)18(22)21-12-7-11-19(2,14-21)16-8-5-4-6-9-16/h4-6,8-10,13H,7,11-12,14H2,1-3H3
InChIKeyYNDBNONDFFBLOV-UHFFFAOYSA-N
XLogP3.53
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 125164514
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97125905
(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 124614411
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97150010
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72844234
2-methyl-6-(3-methyl-3-phenylpiperidine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 72894036
[(3S)-3-methyl-3-phenylpiperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 97138452
1-ethyl-4-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridin-2-one
CID 72931976
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72841576
[(3S)-3-methyl-3-phenylpiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 99123471
4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 72930852
1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72847879

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone?
The IUPAC name of (1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone (CID 72938900) is (1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone is Cc1c(C(=O)N2CCCC(C)(c3ccccc3)C2)ccn1C.
What is the InChIKey of (1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone?
The InChIKey is YNDBNONDFFBLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15-17(10-13-20(15)3)18(22)21-12-7-11-19(2,14-21)16-8-5-4-6-9-16/h4-6,8-10,13H,7,11-12,14H2,1-3H3.
What are the key properties of (1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone?
(1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone has a molecular weight of 296.41 g/mol, XLogP of 3.53, 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)-(3-methyl-3-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 72938900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).