2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride

C18H24ClN5O — CID 122084290

IUPAC2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCC(N)(C(=O)N1CCC(Nc2cccnn2)CC1)c1ccccc1.Cl
InChIInChI=1S/C18H23N5O.ClH/c1-18(19,14-6-3-2-4-7-14)17(24)23-12-9-15(10-13-23)21-16-8-5-11-20-22-16;/h2-8,11,15H,9-10,12-13,19H2,1H3,(H,21,22);1H
InChIKeyICJFXNVLQYVLTP-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.18
Rot. Bonds4

About 2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride

2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 122084290) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID122084290
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCC(N)(C(=O)N1CCC(Nc2cccnn2)CC1)c1ccccc1.Cl
InChIInChI=1S/C18H23N5O.ClH/c1-18(19,14-6-3-2-4-7-14)17(24)23-12-9-15(10-13-23)21-16-8-5-11-20-22-16;/h2-8,11,15H,9-10,12-13,19H2,1H3,(H,21,22);1H
InChIKeyICJFXNVLQYVLTP-UHFFFAOYSA-N
XLogP2.18
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503792
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589033
N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 120590583
4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]benzonitrile
CID 56778506
4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 119879728
(2S)-2-(2,5-dimethylpyrrol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95331691
[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119879739
(2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95601742
2-amino-1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080376
2-amino-1-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-one
CID 120595139
(6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 71878647

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride (CID 122084290) is 2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride is CC(N)(C(=O)N1CCC(Nc2cccnn2)CC1)c1ccccc1.Cl.
What is the InChIKey of 2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is ICJFXNVLQYVLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O.ClH/c1-18(19,14-6-3-2-4-7-14)17(24)23-12-9-15(10-13-23)21-16-8-5-11-20-22-16;/h2-8,11,15H,9-10,12-13,19H2,1H3,(H,21,22);1H.
What are the key properties of 2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride?
2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 361.88 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 122084290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).