[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone

C29H30N4O2 — CID 110150380

IUPAC[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3cccc4ncccc34)CC2)cc1NCc1cccnc1
InChIInChI=1S/C29H30N4O2/c1-35-28-10-9-24(18-27(28)32-20-22-5-3-13-30-19-22)29(34)33-15-11-21(12-16-33)17-23-6-2-8-26-25(23)7-4-14-31-26/h2-10,13-14,18-19,21,32H,11-12,15-17,20H2,1H3
InChIKeyBYMXIOHGLQQUGS-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.35
Rot. Bonds7

About [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone

[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110150380) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID110150380
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Cc3cccc4ncccc34)CC2)cc1NCc1cccnc1
InChIInChI=1S/C29H30N4O2/c1-35-28-10-9-24(18-27(28)32-20-22-5-3-13-30-19-22)29(34)33-15-11-21(12-16-33)17-23-6-2-8-26-25(23)7-4-14-31-26/h2-10,13-14,18-19,21,32H,11-12,15-17,20H2,1H3
InChIKeyBYMXIOHGLQQUGS-UHFFFAOYSA-N
XLogP5.35
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(pyrazolo[1,5-a]pyridin-4-ylmethyl)azepan-1-yl]methanone
CID 110150367
[4-(1H-indazol-5-ylmethyl)azepan-1-yl]-[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]methanone
CID 110150276
(3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519929
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
N-(pyridin-3-ylmethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295099
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
[(6R)-6-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]methanone
CID 124963057
[4-methyl-3-(pyridin-3-ylmethylamino)phenyl]-[(4S)-4-(pyrazolo[1,5-a]pyridin-4-ylmethyl)azepan-1-yl]methanone
CID 125021724
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
pyridazin-4-yl-[(4S)-4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 125000665
[4-(imidazo[1,2-b]pyridazin-6-ylmethyl)azepan-1-yl]-[4-methoxy-3-(pyridin-4-ylmethylamino)phenyl]methanone
CID 110150941

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone (CID 110150380) is [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(Cc3cccc4ncccc34)CC2)cc1NCc1cccnc1.
What is the InChIKey of [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is BYMXIOHGLQQUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-35-28-10-9-24(18-27(28)32-20-22-5-3-13-30-19-22)29(34)33-15-11-21(12-16-33)17-23-6-2-8-26-25(23)7-4-14-31-26/h2-10,13-14,18-19,21,32H,11-12,15-17,20H2,1H3.
What are the key properties of [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 466.59 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110150380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).