1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one

C19H24N2O — CID 5309107

IUPAC1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one
SMILESCC1CCN(C(=O)C(Cc2ccccc2)n2cccc2)CC1
InChIInChI=1S/C19H24N2O/c1-16-9-13-21(14-10-16)19(22)18(20-11-5-6-12-20)15-17-7-3-2-4-8-17/h2-8,11-12,16,18H,9-10,13-15H2,1H3
InChIKeySGMAGCCSTKAITA-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.53
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one

1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one (PubChem CID 5309107) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one
PubChem CID5309107
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one
SMILESCC1CCN(C(=O)C(Cc2ccccc2)n2cccc2)CC1
InChIInChI=1S/C19H24N2O/c1-16-9-13-21(14-10-16)19(22)18(20-11-5-6-12-20)15-17-7-3-2-4-8-17/h2-8,11-12,16,18H,9-10,13-15H2,1H3
InChIKeySGMAGCCSTKAITA-UHFFFAOYSA-N
XLogP3.53
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one (CID 5309107) is 1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one is CC1CCN(C(=O)C(Cc2ccccc2)n2cccc2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one?
The InChIKey is SGMAGCCSTKAITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-16-9-13-21(14-10-16)19(22)18(20-11-5-6-12-20)15-17-7-3-2-4-8-17/h2-8,11-12,16,18H,9-10,13-15H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one?
1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one has a molecular weight of 296.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 5309107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).