[4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone

C24H33N3O3 — CID 67318259

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
SMILESCC(C)N1CCC(Oc2cccc3ccc(C(=O)N4CCC(CO)CC4)nc23)CC1
InChIInChI=1S/C24H33N3O3/c1-17(2)26-14-10-20(11-15-26)30-22-5-3-4-19-6-7-21(25-23(19)22)24(29)27-12-8-18(16-28)9-13-27/h3-7,17-18,20,28H,8-16H2,1-2H3
InChIKeyMEKYFXIKMLBFRP-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.33
Rot. Bonds5

About [4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone

[4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone (PubChem CID 67318259) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
PubChem CID67318259
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
SMILESCC(C)N1CCC(Oc2cccc3ccc(C(=O)N4CCC(CO)CC4)nc23)CC1
InChIInChI=1S/C24H33N3O3/c1-17(2)26-14-10-20(11-15-26)30-22-5-3-4-19-6-7-21(25-23(19)22)24(29)27-12-8-18(16-28)9-13-27/h3-7,17-18,20,28H,8-16H2,1-2H3
InChIKeyMEKYFXIKMLBFRP-UHFFFAOYSA-N
XLogP3.33
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone with MolForge

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Related Compounds

(2-methylpyrrolidin-1-yl)-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
CID 67317523
(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
CID 11654491
[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone
CID 11617590
(6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 115496754
morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone
CID 67102421
[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-thiomorpholin-4-ylmethanone
CID 11718271
N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide
CID 67102543
[6-(ethylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55052183
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625334
(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978
furan-3-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625340

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone (CID 67318259) is [4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone is CC(C)N1CCC(Oc2cccc3ccc(C(=O)N4CCC(CO)CC4)nc23)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
The InChIKey is MEKYFXIKMLBFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-17(2)26-14-10-20(11-15-26)30-22-5-3-4-19-6-7-21(25-23(19)22)24(29)27-12-8-18(16-28)9-13-27/h3-7,17-18,20,28H,8-16H2,1-2H3.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone?
[4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone has a molecular weight of 411.55 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-[8-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone is sourced from PubChem (CID 67318259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).