[1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C19H31N5O — CID 110111077

IUPAC[1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(C)CCN(c3ccc(N(C)C)nn3)CC2)CC1
InChIInChI=1S/C19H31N5O/c1-15-7-11-24(12-8-15)18(25)19(2)9-13-23(14-10-19)17-6-5-16(20-21-17)22(3)4/h5-6,15H,7-14H2,1-4H3
InChIKeyWRFCQISJUPNEHQ-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.41
Rot. Bonds3

About [1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 110111077) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is [1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID110111077
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name[1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(C)CCN(c3ccc(N(C)C)nn3)CC2)CC1
InChIInChI=1S/C19H31N5O/c1-15-7-11-24(12-8-15)18(25)19(2)9-13-23(14-10-19)17-6-5-16(20-21-17)22(3)4/h5-6,15H,7-14H2,1-4H3
InChIKeyWRFCQISJUPNEHQ-UHFFFAOYSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 110111077) is [1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2(C)CCN(c3ccc(N(C)C)nn3)CC2)CC1.
What is the InChIKey of [1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WRFCQISJUPNEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-15-7-11-24(12-8-15)18(25)19(2)9-13-23(14-10-19)17-6-5-16(20-21-17)22(3)4/h5-6,15H,7-14H2,1-4H3.
What are the key properties of [1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 345.49 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(dimethylamino)pyridazin-3-yl]-4-methylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110111077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).