[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone

C29H34FN3O — CID 129457565

IUPAC[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
SMILESCN1CCC(Cc2ccccc2F)(C(=O)N2CCC(Cc3cccc4cccnc34)CC2)CC1
InChIInChI=1S/C29H34FN3O/c1-32-18-13-29(14-19-32,21-25-6-2-3-10-26(25)30)28(34)33-16-11-22(12-17-33)20-24-8-4-7-23-9-5-15-31-27(23)24/h2-10,15,22H,11-14,16-21H2,1H3
InChIKeyPZXIDXOIPKQVDJ-UHFFFAOYSA-N
MW459.61 g/mol
LogP5.11
Rot. Bonds5

About [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone

[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone (PubChem CID 129457565) has the molecular formula C29H34FN3O and a molecular weight of 459.61 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
PubChem CID129457565
Molecular FormulaC29H34FN3O
Molecular Weight459.61 g/mol
Exact Mass459.27
IUPAC Name[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
SMILESCN1CCC(Cc2ccccc2F)(C(=O)N2CCC(Cc3cccc4cccnc34)CC2)CC1
InChIInChI=1S/C29H34FN3O/c1-32-18-13-29(14-19-32,21-25-6-2-3-10-26(25)30)28(34)33-16-11-22(12-17-33)20-24-8-4-7-23-9-5-15-31-27(23)24/h2-10,15,22H,11-14,16-21H2,1H3
InChIKeyPZXIDXOIPKQVDJ-UHFFFAOYSA-N
XLogP5.11
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.61
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-benzyl-1-methylpiperidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 155986485
(4-benzyloxan-4-yl)-[4-(quinolin-8-ylmethyl)azepan-1-yl]methanone
CID 155984339
[4-(2-fluorophenyl)oxan-4-yl]-[4-(quinolin-8-ylmethyl)azepan-1-yl]methanone
CID 110148562
[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 110148859
pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 175652239
[4-(3-fluorophenyl)oxan-4-yl]-[(4R)-4-(quinolin-8-ylmethyl)azepan-1-yl]methanone
CID 125004099
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 155986729
1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 110098814
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(4S)-4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 129455337
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124986057
N-methyl-2-[4-(quinolin-8-ylmethyl)piperidin-1-yl]acetamide
CID 110090460
pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828404

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone (CID 129457565) is [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone is CN1CCC(Cc2ccccc2F)(C(=O)N2CCC(Cc3cccc4cccnc34)CC2)CC1.
What is the InChIKey of [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is PZXIDXOIPKQVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O/c1-32-18-13-29(14-19-32,21-25-6-2-3-10-26(25)30)28(34)33-16-11-22(12-17-33)20-24-8-4-7-23-9-5-15-31-27(23)24/h2-10,15,22H,11-14,16-21H2,1H3.
What are the key properties of [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 459.61 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 129457565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).