[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone

C28H32N2O3 — CID 54527223

IUPAC[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone
SMILESCOc1ccc(CC2CCN(C(=O)c3cccc4cccnc34)CC2)cc1OC1CCCC1
InChIInChI=1S/C28H32N2O3/c1-32-25-12-11-21(19-26(25)33-23-8-2-3-9-23)18-20-13-16-30(17-14-20)28(31)24-10-4-6-22-7-5-15-29-27(22)24/h4-7,10-12,15,19-20,23H,2-3,8-9,13-14,16-18H2,1H3
InChIKeyYTZDKSOUIJUVBI-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.66
Rot. Bonds6

About [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone

[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone (PubChem CID 54527223) 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-8-ylmethanone.

Molecular Properties

Compound Name[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone
PubChem CID54527223
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone
SMILESCOc1ccc(CC2CCN(C(=O)c3cccc4cccnc34)CC2)cc1OC1CCCC1
InChIInChI=1S/C28H32N2O3/c1-32-25-12-11-21(19-26(25)33-23-8-2-3-9-23)18-20-13-16-30(17-14-20)28(31)24-10-4-6-22-7-5-15-29-27(22)24/h4-7,10-12,15,19-20,23H,2-3,8-9,13-14,16-18H2,1H3
InChIKeyYTZDKSOUIJUVBI-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-8-ylmethanone with MolForge

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Related Compounds

[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 54097241
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 15391990
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone
CID 54508259
[4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone
CID 119646450
(4-aminopiperidin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119375001
[4-(ethylamino)piperidin-1-yl]-quinolin-8-ylmethanone
CID 62851096
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625334
[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119562051
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 110289562
(2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 125000469
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800

Frequently Asked Questions

What is the IUPAC name of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone?
The IUPAC name of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone (CID 54527223) is [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone.
What is the SMILES notation for [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone?
The canonical SMILES for [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone is COc1ccc(CC2CCN(C(=O)c3cccc4cccnc34)CC2)cc1OC1CCCC1.
What is the InChIKey of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone?
The InChIKey is YTZDKSOUIJUVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-32-25-12-11-21(19-26(25)33-23-8-2-3-9-23)18-20-13-16-30(17-14-20)28(31)24-10-4-6-22-7-5-15-29-27(22)24/h4-7,10-12,15,19-20,23H,2-3,8-9,13-14,16-18H2,1H3.
What are the key properties of [4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-ylmethanone?
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-quinolin-8-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-8-ylmethanone is sourced from PubChem (CID 54527223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).