(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone

C16H28N4O — CID 120814052

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1nc(C)c(C(=O)N2CCC(N)C(C)(C)C2)c1C
InChIInChI=1S/C16H28N4O/c1-6-8-20-12(3)14(11(2)18-20)15(21)19-9-7-13(17)16(4,5)10-19/h13H,6-10,17H2,1-5H3
InChIKeySHDCFXZOXNXQRZ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.11
Rot. Bonds3

About (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone (PubChem CID 120814052) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
PubChem CID120814052
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1nc(C)c(C(=O)N2CCC(N)C(C)(C)C2)c1C
InChIInChI=1S/C16H28N4O/c1-6-8-20-12(3)14(11(2)18-20)15(21)19-9-7-13(17)16(4,5)10-19/h13H,6-10,17H2,1-5H3
InChIKeySHDCFXZOXNXQRZ-UHFFFAOYSA-N
XLogP2.11
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone (CID 120814052) is (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone is CCCn1nc(C)c(C(=O)N2CCC(N)C(C)(C)C2)c1C.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone?
The InChIKey is SHDCFXZOXNXQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-8-20-12(3)14(11(2)18-20)15(21)19-9-7-13(17)16(4,5)10-19/h13H,6-10,17H2,1-5H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone has a molecular weight of 292.43 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 120814052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).