(4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone

C29H35N3O — CID 155986485

IUPAC(4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
SMILESCN1CCC(Cc2ccccc2)(C(=O)N2CCC(Cc3cccc4ncccc34)CC2)CC1
InChIInChI=1S/C29H35N3O/c1-31-19-14-29(15-20-31,22-24-7-3-2-4-8-24)28(33)32-17-12-23(13-18-32)21-25-9-5-11-27-26(25)10-6-16-30-27/h2-11,16,23H,12-15,17-22H2,1H3
InChIKeyWJQYYCWWVMBPLT-UHFFFAOYSA-N
MW441.62 g/mol
LogP4.97
Rot. Bonds5

About (4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone

(4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 155986485) has the molecular formula C29H35N3O and a molecular weight of 441.62 g/mol. Its IUPAC name is (4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID155986485
Molecular FormulaC29H35N3O
Molecular Weight441.62 g/mol
Exact Mass441.28
IUPAC Name(4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
SMILESCN1CCC(Cc2ccccc2)(C(=O)N2CCC(Cc3cccc4ncccc34)CC2)CC1
InChIInChI=1S/C29H35N3O/c1-31-19-14-29(15-20-31,22-24-7-3-2-4-8-24)28(33)32-17-12-23(13-18-32)21-25-9-5-11-27-26(25)10-6-16-30-27/h2-11,16,23H,12-15,17-22H2,1H3
InChIKeyWJQYYCWWVMBPLT-UHFFFAOYSA-N
XLogP4.97
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 129457565
(4-benzyloxan-4-yl)-[(1S,5S)-3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 125019041
(4-benzyloxan-4-yl)-[4-(quinolin-8-ylmethyl)azepan-1-yl]methanone
CID 155984339
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
(2-methylpyrimidin-5-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124966364
(2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110111683
(4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 22741766
(1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563003
[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)azepan-1-yl]methanone
CID 110150075
(2-methoxy-3-pyridinyl)-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090461
(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
CID 53162861
pyridazin-4-yl-[(4S)-4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 125000665

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone (CID 155986485) is (4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone is CN1CCC(Cc2ccccc2)(C(=O)N2CCC(Cc3cccc4ncccc34)CC2)CC1.
What is the InChIKey of (4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is WJQYYCWWVMBPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O/c1-31-19-14-29(15-20-31,22-24-7-3-2-4-8-24)28(33)32-17-12-23(13-18-32)21-25-9-5-11-27-26(25)10-6-16-30-27/h2-11,16,23H,12-15,17-22H2,1H3.
What are the key properties of (4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
(4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 441.62 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 155986485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).