[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone

C28H29N5O3 — CID 144700092

IUPAC[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone
SMILESCc1cccc(CC2(O)CCN(C(=O)c3ccc(NNOc4cccc5cccnc45)cc3)CC2)n1
InChIInChI=1S/C28H29N5O3/c1-20-5-2-8-24(30-20)19-28(35)14-17-33(18-15-28)27(34)22-10-12-23(13-11-22)31-32-36-25-9-3-6-21-7-4-16-29-26(21)25/h2-13,16,31-32,35H,14-15,17-19H2,1H3
InChIKeyRSLIFZIWNNUPNI-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.06
Rot. Bonds7

About [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone

[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone (PubChem CID 144700092) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone.

Molecular Properties

Compound Name[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone
PubChem CID144700092
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone
SMILESCc1cccc(CC2(O)CCN(C(=O)c3ccc(NNOc4cccc5cccnc45)cc3)CC2)n1
InChIInChI=1S/C28H29N5O3/c1-20-5-2-8-24(30-20)19-28(35)14-17-33(18-15-28)27(34)22-10-12-23(13-11-22)31-32-36-25-9-3-6-21-7-4-16-29-26(21)25/h2-13,16,31-32,35H,14-15,17-19H2,1H3
InChIKeyRSLIFZIWNNUPNI-UHFFFAOYSA-N
XLogP4.06
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 146582870
[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone
CID 141414922
N-[4-[4-[(2,6-difluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 90418920
[4-(3,3-difluoropropyl)-4-hydroxypiperidin-1-yl]-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 146582732
N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 90419038
(4-aminophenyl)-[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 144699588
[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 126830095
[4-[(2,2-difluorocyclopropyl)methyl]-4-hydroxypiperidin-1-yl]-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 146582572
4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde
CID 139375948
[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 159099032
N-[4-[4-[(2,2-difluorocyclopropyl)methyl]-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 90419129
N-[4-[4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide
CID 140701366

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone?
The IUPAC name of [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone (CID 144700092) is [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone.
What is the SMILES notation for [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone?
The canonical SMILES for [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone is Cc1cccc(CC2(O)CCN(C(=O)c3ccc(NNOc4cccc5cccnc45)cc3)CC2)n1.
What is the InChIKey of [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone?
The InChIKey is RSLIFZIWNNUPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-20-5-2-8-24(30-20)19-28(35)14-17-33(18-15-28)27(34)22-10-12-23(13-11-22)31-32-36-25-9-3-6-21-7-4-16-29-26(21)25/h2-13,16,31-32,35H,14-15,17-19H2,1H3.
What are the key properties of [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone?
[4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone has a molecular weight of 483.57 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-[4-(2-quinolin-8-yloxyhydrazinyl)phenyl]methanone is sourced from PubChem (CID 144700092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).