(3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone

C32H35N3O2 — CID 54132236

IUPAC(3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone
SMILESCOc1cccc(CC2CC(NCc3ccnc4ccccc34)CCN2C(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C32H35N3O2/c1-22-15-23(2)17-26(16-22)32(36)35-14-12-27(20-28(35)18-24-7-6-8-29(19-24)37-3)34-21-25-11-13-33-31-10-5-4-9-30(25)31/h4-11,13,15-17,19,27-28,34H,12,14,18,20-21H2,1-3H3
InChIKeyNVECYGFDAQIJIV-UHFFFAOYSA-N
MW493.65 g/mol
LogP5.87
Rot. Bonds7

About (3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone

(3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone (PubChem CID 54132236) has the molecular formula C32H35N3O2 and a molecular weight of 493.65 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone
PubChem CID54132236
Molecular FormulaC32H35N3O2
Molecular Weight493.65 g/mol
Exact Mass493.27
IUPAC Name(3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone
SMILESCOc1cccc(CC2CC(NCc3ccnc4ccccc34)CCN2C(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C32H35N3O2/c1-22-15-23(2)17-26(16-22)32(36)35-14-12-27(20-28(35)18-24-7-6-8-29(19-24)37-3)34-21-25-11-13-33-31-10-5-4-9-30(25)31/h4-11,13,15-17,19,27-28,34H,12,14,18,20-21H2,1-3H3
InChIKeyNVECYGFDAQIJIV-UHFFFAOYSA-N
XLogP5.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(2R,4S)-2-benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 57042465
[(2S,4S)-2-benzyl-4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57065829
[(2S,4S)-2-benzyl-4-[(2,5-dimethoxyphenyl)methylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57002073
[2-benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 54095606
1-[2-benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-2-phenylethanone
CID 54116273
[(2S,4R)-2-benzyl-4-(pyridin-3-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57019367
[(2R,4R)-2-[(S)-(3,4-dichlorophenyl)-hydroxymethyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57134719
[(2R,4S)-2-benzyl-4-[3-(2,5-dimethoxyphenyl)propylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57259688
[(2R,4S)-2-benzyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57011750
[(2R,4S)-2-benzyl-4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57185217
[(2S,4S)-2-benzyl-4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57261989
2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine
CID 54188664

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone (CID 54132236) is (3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone is COc1cccc(CC2CC(NCc3ccnc4ccccc34)CCN2C(=O)c2cc(C)cc(C)c2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone?
The InChIKey is NVECYGFDAQIJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O2/c1-22-15-23(2)17-26(16-22)32(36)35-14-12-27(20-28(35)18-24-7-6-8-29(19-24)37-3)34-21-25-11-13-33-31-10-5-4-9-30(25)31/h4-11,13,15-17,19,27-28,34H,12,14,18,20-21H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone?
(3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone has a molecular weight of 493.65 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 54132236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).