2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone

C17H26ClN5O2 — CID 171837858

IUPAC2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCc1cc(N[C@@H]2CCCN(CC(=O)N3CCC(O)CC3)C2)nnc1Cl
InChIInChI=1S/C17H26ClN5O2/c1-12-9-15(20-21-17(12)18)19-13-3-2-6-22(10-13)11-16(25)23-7-4-14(24)5-8-23/h9,13-14,24H,2-8,10-11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyUBRIHOGSBKYRNZ-CYBMUJFWSA-N
MW367.88 g/mol
LogP1.30
Rot. Bonds4

About 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone

2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 171837858) has the molecular formula C17H26ClN5O2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID171837858
Molecular FormulaC17H26ClN5O2
Molecular Weight367.88 g/mol
Exact Mass367.18
IUPAC Name2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCc1cc(N[C@@H]2CCCN(CC(=O)N3CCC(O)CC3)C2)nnc1Cl
InChIInChI=1S/C17H26ClN5O2/c1-12-9-15(20-21-17(12)18)19-13-3-2-6-22(10-13)11-16(25)23-7-4-14(24)5-8-23/h9,13-14,24H,2-8,10-11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyUBRIHOGSBKYRNZ-CYBMUJFWSA-N
XLogP1.30
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone with MolForge

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Related Compounds

1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]-4-fluoropyrrolidin-3-ol
CID 171837843
2-[(3R)-3-[(6-chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol
CID 155284656
2-[3-[(6-Chloro-4-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol
CID 155284658
tert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate
CID 167138213
2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol
CID 168973440
2-[3-[(6-Chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanol
CID 169743866
2-[3-[(6-Chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]acetic acid
CID 169744250
3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide
CID 171585992
6-chloro-N-[(3R)-1-(3-methoxycyclobutyl)piperidin-3-yl]-5-methylpyridazin-3-amine
CID 171585999
1-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one
CID 171586106
1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol
CID 171837779
1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]piperidin-4-ol
CID 171837837

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone (CID 171837858) is 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone is Cc1cc(N[C@@H]2CCCN(CC(=O)N3CCC(O)CC3)C2)nnc1Cl.
What is the InChIKey of 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is UBRIHOGSBKYRNZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26ClN5O2/c1-12-9-15(20-21-17(12)18)19-13-3-2-6-22(10-13)11-16(25)23-7-4-14(24)5-8-23/h9,13-14,24H,2-8,10-11H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone?
2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 367.88 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 171837858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).