[4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone

C26H35N3O — CID 3008907

IUPAC[4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccccc3)CC2)CC1
InChIInChI=1S/C26H35N3O/c1-20-8-7-9-21(2)24(20)25(30)28-18-14-26(3,15-19-28)29-16-12-23(13-17-29)27-22-10-5-4-6-11-22/h4-11,23,27H,12-19H2,1-3H3
InChIKeyMZQMHNMMAJJJCC-UHFFFAOYSA-N
MW405.59 g/mol
LogP4.87
Rot. Bonds4

About [4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone

[4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone (PubChem CID 3008907) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is [4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
PubChem CID3008907
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name[4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
SMILESCc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccccc3)CC2)CC1
InChIInChI=1S/C26H35N3O/c1-20-8-7-9-21(2)24(20)25(30)28-18-14-26(3,15-19-28)29-16-12-23(13-17-29)27-22-10-5-4-6-11-22/h4-11,23,27H,12-19H2,1-3H3
InChIKeyMZQMHNMMAJJJCC-UHFFFAOYSA-N
XLogP4.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone?
The IUPAC name of [4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone (CID 3008907) is [4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone.
What is the SMILES notation for [4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone?
The canonical SMILES for [4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone is Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccccc3)CC2)CC1.
What is the InChIKey of [4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone?
The InChIKey is MZQMHNMMAJJJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-20-8-7-9-21(2)24(20)25(30)28-18-14-26(3,15-19-28)29-16-12-23(13-17-29)27-22-10-5-4-6-11-22/h4-11,23,27H,12-19H2,1-3H3.
What are the key properties of [4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone?
[4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone has a molecular weight of 405.59 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone is sourced from PubChem (CID 3008907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).