(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride

C14H23Cl2N5O — CID 119381184

IUPAC(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCCN(C(=O)c2ccc(N3CCCC3)nn2)C1
InChIInChI=1S/C14H21N5O.2ClH/c15-11-4-3-9-19(10-11)14(20)12-5-6-13(17-16-12)18-7-1-2-8-18;;/h5-6,11H,1-4,7-10,15H2;2*1H
InChIKeyGKHWCQCBIANGOB-UHFFFAOYSA-N
MW348.28 g/mol
LogP1.48
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride

(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride (PubChem CID 119381184) has the molecular formula C14H23Cl2N5O and a molecular weight of 348.28 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
PubChem CID119381184
Molecular FormulaC14H23Cl2N5O
Molecular Weight348.28 g/mol
Exact Mass347.13
IUPAC Name(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCCN(C(=O)c2ccc(N3CCCC3)nn2)C1
InChIInChI=1S/C14H21N5O.2ClH/c15-11-4-3-9-19(10-11)14(20)12-5-6-13(17-16-12)18-7-1-2-8-18;;/h5-6,11H,1-4,7-10,15H2;2*1H
InChIKeyGKHWCQCBIANGOB-UHFFFAOYSA-N
XLogP1.48
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethynylpiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 126821251
[(3R)-3-(methylamino)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124587818
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119378111
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95314596
(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 119378158
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95382851
1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
[2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
CID 119634141
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95759732
[4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 119647808

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride (CID 119381184) is (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride is Cl.Cl.NC1CCCN(C(=O)c2ccc(N3CCCC3)nn2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride?
The InChIKey is GKHWCQCBIANGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O.2ClH/c15-11-4-3-9-19(10-11)14(20)12-5-6-13(17-16-12)18-7-1-2-8-18;;/h5-6,11H,1-4,7-10,15H2;2*1H.
What are the key properties of (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride?
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride has a molecular weight of 348.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride is sourced from PubChem (CID 119381184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).