(4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone

C14H21N5O2 — CID 100624368

IUPAC(4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
SMILESCN1CCN(C(=O)N2CC[C@@H](Oc3cccnn3)C2)CC1
InChIInChI=1S/C14H21N5O2/c1-17-7-9-18(10-8-17)14(20)19-6-4-12(11-19)21-13-3-2-5-15-16-13/h2-3,5,12H,4,6-11H2,1H3/t12-/m1/s1
InChIKeyCPNPTCZKLMWIRC-GFCCVEGCSA-N
MW291.35 g/mol
LogP0.30
Rot. Bonds2

About (4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone

(4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone (PubChem CID 100624368) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
PubChem CID100624368
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name(4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
SMILESCN1CCN(C(=O)N2CC[C@@H](Oc3cccnn3)C2)CC1
InChIInChI=1S/C14H21N5O2/c1-17-7-9-18(10-8-17)14(20)19-6-4-12(11-19)21-13-3-2-5-15-16-13/h2-3,5,12H,4,6-11H2,1H3/t12-/m1/s1
InChIKeyCPNPTCZKLMWIRC-GFCCVEGCSA-N
XLogP0.30
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627533
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627626
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638477
2,2,2-trifluoro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 159511918
N-(2-methoxyethyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 91627281
(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 91627208
[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 100623567
N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638486
(2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
CID 100622951
(4-methylpiperazin-1-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100643728

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone (CID 100624368) is (4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone is CN1CCN(C(=O)N2CC[C@@H](Oc3cccnn3)C2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
The InChIKey is CPNPTCZKLMWIRC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-17-7-9-18(10-8-17)14(20)19-6-4-12(11-19)21-13-3-2-5-15-16-13/h2-3,5,12H,4,6-11H2,1H3/t12-/m1/s1.
What are the key properties of (4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone?
(4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone has a molecular weight of 291.35 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 100624368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).