[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C14H24N4O — CID 146476266

IUPAC[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCC(C)NC1(C)CCN(C(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C14H24N4O/c1-11(2)16-14(3)5-7-18(8-6-14)13(19)12-9-15-17(4)10-12/h9-11,16H,5-8H2,1-4H3
InChIKeyBLWNQGJVMYHTFR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.41
Rot. Bonds3

About [4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 146476266) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID146476266
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCC(C)NC1(C)CCN(C(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C14H24N4O/c1-11(2)16-14(3)5-7-18(8-6-14)13(19)12-9-15-17(4)10-12/h9-11,16H,5-8H2,1-4H3
InChIKeyBLWNQGJVMYHTFR-UHFFFAOYSA-N
XLogP1.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 146476266) is [4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is CC(C)NC1(C)CCN(C(=O)c2cnn(C)c2)CC1.
What is the InChIKey of [4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is BLWNQGJVMYHTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)16-14(3)5-7-18(8-6-14)13(19)12-9-15-17(4)10-12/h9-11,16H,5-8H2,1-4H3.
What are the key properties of [4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(propan-2-ylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 146476266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).