[4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C12H20N4O — CID 113282931

IUPAC[4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCNC1(C)CCN(C(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C12H20N4O/c1-12(13-2)4-6-16(7-5-12)11(17)10-8-14-15(3)9-10/h8-9,13H,4-7H2,1-3H3
InChIKeyWRIGYIJCBVRADH-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.63
Rot. Bonds2

About [4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 113282931) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID113282931
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCNC1(C)CCN(C(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C12H20N4O/c1-12(13-2)4-6-16(7-5-12)11(17)10-8-14-15(3)9-10/h8-9,13H,4-7H2,1-3H3
InChIKeyWRIGYIJCBVRADH-UHFFFAOYSA-N
XLogP0.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 113282931) is [4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is CNC1(C)CCN(C(=O)c2cnn(C)c2)CC1.
What is the InChIKey of [4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is WRIGYIJCBVRADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(13-2)4-6-16(7-5-12)11(17)10-8-14-15(3)9-10/h8-9,13H,4-7H2,1-3H3.
What are the key properties of [4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(methylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 113282931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).