2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one

C17H26N4O2 — CID 46168740

IUPAC2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCc2[nH]nc(C(=O)N3CCCCC3)c2C1
InChIInChI=1S/C17H26N4O2/c1-3-12(2)16(22)21-10-7-14-13(11-21)15(19-18-14)17(23)20-8-5-4-6-9-20/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyGILOTJQMIJTEHA-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.97
Rot. Bonds3

About 2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one

2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one (PubChem CID 46168740) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one
PubChem CID46168740
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCc2[nH]nc(C(=O)N3CCCCC3)c2C1
InChIInChI=1S/C17H26N4O2/c1-3-12(2)16(22)21-10-7-14-13(11-21)15(19-18-14)17(23)20-8-5-4-6-9-20/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyGILOTJQMIJTEHA-UHFFFAOYSA-N
XLogP1.97
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one?
The IUPAC name of 2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one (CID 46168740) is 2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one.
What is the SMILES notation for 2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one?
The canonical SMILES for 2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one is CCC(C)C(=O)N1CCc2[nH]nc(C(=O)N3CCCCC3)c2C1.
What is the InChIKey of 2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one?
The InChIKey is GILOTJQMIJTEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-12(2)16(22)21-10-7-14-13(11-21)15(19-18-14)17(23)20-8-5-4-6-9-20/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one?
2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one has a molecular weight of 318.42 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one is sourced from PubChem (CID 46168740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).