[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone

C20H25N3O3 — CID 95709384

IUPAC[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone
SMILESO=C(c1ccc2cccnc2c1O)N1CCC(N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C20H25N3O3/c24-16-4-2-10-23(13-16)15-7-11-22(12-8-15)20(26)17-6-5-14-3-1-9-21-18(14)19(17)25/h1,3,5-6,9,15-16,24-25H,2,4,7-8,10-13H2/t16-/m0/s1
InChIKeyIKGCTKLQVOBBFY-INIZCTEOSA-N
MW355.44 g/mol
LogP2.00
Rot. Bonds2

About [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone

[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone (PubChem CID 95709384) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone.

Molecular Properties

Compound Name[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone
PubChem CID95709384
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone
SMILESO=C(c1ccc2cccnc2c1O)N1CCC(N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C20H25N3O3/c24-16-4-2-10-23(13-16)15-7-11-22(12-8-15)20(26)17-6-5-14-3-1-9-21-18(14)19(17)25/h1,3,5-6,9,15-16,24-25H,2,4,7-8,10-13H2/t16-/m0/s1
InChIKeyIKGCTKLQVOBBFY-INIZCTEOSA-N
XLogP2.00
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
CID 95866622
[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 56910306
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987
(8-hydroxyquinolin-7-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95555898
(3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol
CID 39801992
(8-hydroxyquinolin-7-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 167791873
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone
CID 56900073
1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 95714528
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95717875
(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918604

Frequently Asked Questions

What is the IUPAC name of [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone?
The IUPAC name of [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone (CID 95709384) is [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone.
What is the SMILES notation for [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone?
The canonical SMILES for [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone is O=C(c1ccc2cccnc2c1O)N1CCC(N2CCC[C@H](O)C2)CC1.
What is the InChIKey of [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone?
The InChIKey is IKGCTKLQVOBBFY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-16-4-2-10-23(13-16)15-7-11-22(12-8-15)20(26)17-6-5-14-3-1-9-21-18(14)19(17)25/h1,3,5-6,9,15-16,24-25H,2,4,7-8,10-13H2/t16-/m0/s1.
What are the key properties of [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone?
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(8-hydroxyquinolin-7-yl)methanone is sourced from PubChem (CID 95709384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).