(3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone

C15H22N4OS — CID 119380024

IUPAC(3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCC(C)c1nn(C)c2sc(C(=O)N3CCCC(N)C3)cc12
InChIInChI=1S/C15H22N4OS/c1-9(2)13-11-7-12(21-15(11)18(3)17-13)14(20)19-6-4-5-10(16)8-19/h7,9-10H,4-6,8,16H2,1-3H3
InChIKeyLJDJVRKKTXTPCT-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.32
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone

(3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone (PubChem CID 119380024) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone
PubChem CID119380024
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name(3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone
SMILESCC(C)c1nn(C)c2sc(C(=O)N3CCCC(N)C3)cc12
InChIInChI=1S/C15H22N4OS/c1-9(2)13-11-7-12(21-15(11)18(3)17-13)14(20)19-6-4-5-10(16)8-19/h7,9-10H,4-6,8,16H2,1-3H3
InChIKeyLJDJVRKKTXTPCT-UHFFFAOYSA-N
XLogP2.32
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone (CID 119380024) is (3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone is CC(C)c1nn(C)c2sc(C(=O)N3CCCC(N)C3)cc12.
What is the InChIKey of (3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone?
The InChIKey is LJDJVRKKTXTPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-9(2)13-11-7-12(21-15(11)18(3)17-13)14(20)19-6-4-5-10(16)8-19/h7,9-10H,4-6,8,16H2,1-3H3.
What are the key properties of (3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone?
(3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone has a molecular weight of 306.44 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 119380024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).