[4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone

C28H32N2O2 — CID 155984432

IUPAC[4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2(C(=O)N3CCCC(Cc4ccc5ncccc5c4)C3)CCOCC2)cc1
InChIInChI=1S/C28H32N2O2/c1-21-6-9-25(10-7-21)28(12-16-32-17-13-28)27(31)30-15-3-4-23(20-30)18-22-8-11-26-24(19-22)5-2-14-29-26/h2,5-11,14,19,23H,3-4,12-13,15-18,20H2,1H3
InChIKeyLSTDTPVAAWFBRO-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.07
Rot. Bonds4

About [4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone

[4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone (PubChem CID 155984432) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is [4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
PubChem CID155984432
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name[4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2(C(=O)N3CCCC(Cc4ccc5ncccc5c4)C3)CCOCC2)cc1
InChIInChI=1S/C28H32N2O2/c1-21-6-9-25(10-7-21)28(12-16-32-17-13-28)27(31)30-15-3-4-23(20-30)18-22-8-11-26-24(19-22)5-2-14-29-26/h2,5-11,14,19,23H,3-4,12-13,15-18,20H2,1H3
InChIKeyLSTDTPVAAWFBRO-UHFFFAOYSA-N
XLogP5.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(3-fluorophenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 110149491
[4-(2-fluorophenyl)oxan-4-yl]-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124984247
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124967795
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699
[4-(3,5-dimethylphenyl)oxan-4-yl]-[6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 175658039
pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 125015441
[(4S)-4-(isoquinolin-7-ylmethyl)azepan-1-yl]-(4-phenyloxan-4-yl)methanone
CID 124977011
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 124963940
(4-methyl-1,3-oxazol-5-yl)-[4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 110098792
[4-(3-fluorophenyl)oxan-4-yl]-[(3R)-3-(quinolin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 124959794
(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828739
(1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124981222

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone (CID 155984432) is [4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone is Cc1ccc(C2(C(=O)N3CCCC(Cc4ccc5ncccc5c4)C3)CCOCC2)cc1.
What is the InChIKey of [4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is LSTDTPVAAWFBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-21-6-9-25(10-7-21)28(12-16-32-17-13-28)27(31)30-15-3-4-23(20-30)18-22-8-11-26-24(19-22)5-2-14-29-26/h2,5-11,14,19,23H,3-4,12-13,15-18,20H2,1H3.
What are the key properties of [4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
[4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 428.58 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 155984432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).