[4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone

C29H36N4O2 — CID 142138114

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)C2CCCN(CCCOc3cccc4ncccc34)C2)CC1
InChIInChI=1S/C29H36N4O2/c1-23-8-2-3-12-27(23)32-17-19-33(20-18-32)29(34)24-9-6-15-31(22-24)16-7-21-35-28-13-4-11-26-25(28)10-5-14-30-26/h2-5,8,10-14,24H,6-7,9,15-22H2,1H3
InChIKeyAVLRIZJLIDVJIE-UHFFFAOYSA-N
MW472.63 g/mol
LogP4.37
Rot. Bonds7

About [4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone

[4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone (PubChem CID 142138114) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone
PubChem CID142138114
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)C2CCCN(CCCOc3cccc4ncccc34)C2)CC1
InChIInChI=1S/C29H36N4O2/c1-23-8-2-3-12-27(23)32-17-19-33(20-18-32)29(34)24-9-6-15-31(22-24)16-7-21-35-28-13-4-11-26-25(28)10-5-14-30-26/h2-5,8,10-14,24H,6-7,9,15-22H2,1H3
InChIKeyAVLRIZJLIDVJIE-UHFFFAOYSA-N
XLogP4.37
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

lithium;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxylate;[1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;methane;1-(2-methylphenyl)piperazine;hydrochloride
CID 160831083
N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide
CID 86869655
1-[3-[3-[3-[3-(3-carboxypiperidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenoxy]propyl]piperidine-3-carboxylic acid
CID 175890294
1-[3-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 144568998
[4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone
CID 92885175
[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124785355
2-[4-[1-(2-methoxyethyl)piperidine-3-carbonyl]piperazin-1-yl]benzonitrile
CID 74250243
[(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 124814675
[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[(3R)-1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone
CID 92562113
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110410080
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-3-yl]methanone
CID 124820679
pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868753

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone (CID 142138114) is [4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone is Cc1ccccc1N1CCN(C(=O)C2CCCN(CCCOc3cccc4ncccc34)C2)CC1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone?
The InChIKey is AVLRIZJLIDVJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-23-8-2-3-12-27(23)32-17-19-33(20-18-32)29(34)24-9-6-15-31(22-24)16-7-21-35-28-13-4-11-26-25(28)10-5-14-30-26/h2-5,8,10-14,24H,6-7,9,15-22H2,1H3.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone?
[4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone has a molecular weight of 472.63 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-[1-(3-quinolin-5-yloxypropyl)piperidin-3-yl]methanone is sourced from PubChem (CID 142138114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).