[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone

C21H26N2O2 — CID 24790277

IUPAC[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(Nc3ccc(C)c(C)c3)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-15-6-9-18(13-16(15)2)22-19-5-4-12-23(14-19)21(24)17-7-10-20(25-3)11-8-17/h6-11,13,19,22H,4-5,12,14H2,1-3H3
InChIKeyQSKRYUVRZFCFDD-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.03
Rot. Bonds4

About [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone

[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 24790277) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID24790277
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(Nc3ccc(C)c(C)c3)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-15-6-9-18(13-16(15)2)22-19-5-4-12-23(14-19)21(24)17-7-10-20(25-3)11-8-17/h6-11,13,19,22H,4-5,12,14H2,1-3H3
InChIKeyQSKRYUVRZFCFDD-UHFFFAOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 24790277) is [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCCC(Nc3ccc(C)c(C)c3)C2)cc1.
What is the InChIKey of [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is QSKRYUVRZFCFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-6-9-18(13-16(15)2)22-19-5-4-12-23(14-19)21(24)17-7-10-20(25-3)11-8-17/h6-11,13,19,22H,4-5,12,14H2,1-3H3.
What are the key properties of [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone?
[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 338.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 24790277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).