(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone

C20H26N2O — CID 46798353

IUPAC(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H26N2O/c1-14-10-15(2)13-21(12-14)20(23)19-11-16(3)22(17(19)4)18-8-6-5-7-9-18/h5-9,11,14-15H,10,12-13H2,1-4H3
InChIKeyIGKQFYRSBIDVSZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.21
Rot. Bonds2

About (2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone

(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 46798353) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID46798353
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H26N2O/c1-14-10-15(2)13-21(12-14)20(23)19-11-16(3)22(17(19)4)18-8-6-5-7-9-18/h5-9,11,14-15H,10,12-13H2,1-4H3
InChIKeyIGKQFYRSBIDVSZ-UHFFFAOYSA-N
XLogP4.21
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-4-cyclopropyl-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978795
(4-aminopiperidin-1-yl)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanone
CID 119372805
(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110883810
(2,5-dimethyl-1-phenylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429806
(2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide
CID 94371459
1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251590
(2,5-dimethyl-1-phenylpyrrol-3-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 56547140
(2R)-1-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370736
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methanone
CID 95591997
1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119078
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
1-[1-(3-chlorophenyl)-2,5-dimethylpyrrole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354933

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 46798353) is (2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CC(C)CC(C)C2)c(C)n1-c1ccccc1.
What is the InChIKey of (2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is IGKQFYRSBIDVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14-10-15(2)13-21(12-14)20(23)19-11-16(3)22(17(19)4)18-8-6-5-7-9-18/h5-9,11,14-15H,10,12-13H2,1-4H3.
What are the key properties of (2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 310.44 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 46798353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).