[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone

C28H32N2O3 — CID 54097241

IUPAC[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone
SMILESCOc1ccc(CC2CCN(C(=O)c3cnc4ccccc4c3)CC2)cc1OC1CCCC1
InChIInChI=1S/C28H32N2O3/c1-32-26-11-10-21(17-27(26)33-24-7-3-4-8-24)16-20-12-14-30(15-13-20)28(31)23-18-22-6-2-5-9-25(22)29-19-23/h2,5-6,9-11,17-20,24H,3-4,7-8,12-16H2,1H3
InChIKeyMXZFFNBLONEXAO-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.66
Rot. Bonds6

About [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone

[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone (PubChem CID 54097241) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone.

Molecular Properties

Compound Name[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone
PubChem CID54097241
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone
SMILESCOc1ccc(CC2CCN(C(=O)c3cnc4ccccc4c3)CC2)cc1OC1CCCC1
InChIInChI=1S/C28H32N2O3/c1-32-26-11-10-21(17-27(26)33-24-7-3-4-8-24)16-20-12-14-30(15-13-20)28(31)23-18-22-6-2-5-9-25(22)29-19-23/h2,5-6,9-11,17-20,24H,3-4,7-8,12-16H2,1H3
InChIKeyMXZFFNBLONEXAO-UHFFFAOYSA-N
XLogP5.66
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone with MolForge

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Related Compounds

[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 15391990
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone
CID 54527223
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone
CID 54508259
1-[4-[[4-methoxy-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]oxyphenyl]methyl]piperazin-1-yl]ethanone
CID 28733648
[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 110289562
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone
CID 52652087
(5-methyl-1,2-oxazol-3-yl)-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110090567
(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559871
1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 118739871
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648

Frequently Asked Questions

What is the IUPAC name of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone?
The IUPAC name of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone (CID 54097241) is [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone.
What is the SMILES notation for [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone?
The canonical SMILES for [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone is COc1ccc(CC2CCN(C(=O)c3cnc4ccccc4c3)CC2)cc1OC1CCCC1.
What is the InChIKey of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone?
The InChIKey is MXZFFNBLONEXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-32-26-11-10-21(17-27(26)33-24-7-3-4-8-24)16-20-12-14-30(15-13-20)28(31)23-18-22-6-2-5-9-25(22)29-19-23/h2,5-6,9-11,17-20,24H,3-4,7-8,12-16H2,1H3.
What are the key properties of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone?
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone has a molecular weight of 444.58 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone is sourced from PubChem (CID 54097241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).