2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one

C20H29N5O — CID 110102340

IUPAC2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCCCn1cc(-c2cnc(C3CCCN(C(=O)C(C)(C)C)C3)cn2)cn1
InChIInChI=1S/C20H29N5O/c1-5-8-25-14-16(10-23-25)18-12-21-17(11-22-18)15-7-6-9-24(13-15)19(26)20(2,3)4/h10-12,14-15H,5-9,13H2,1-4H3
InChIKeyYLAVUCFQVKFZGI-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.50
Rot. Bonds4

About 2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 110102340) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID110102340
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCCCn1cc(-c2cnc(C3CCCN(C(=O)C(C)(C)C)C3)cn2)cn1
InChIInChI=1S/C20H29N5O/c1-5-8-25-14-16(10-23-25)18-12-21-17(11-22-18)15-7-6-9-24(13-15)19(26)20(2,3)4/h10-12,14-15H,5-9,13H2,1-4H3
InChIKeyYLAVUCFQVKFZGI-UHFFFAOYSA-N
XLogP3.50
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 110102340) is 2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one is CCCn1cc(-c2cnc(C3CCCN(C(=O)C(C)(C)C)C3)cn2)cn1.
What is the InChIKey of 2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is YLAVUCFQVKFZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-5-8-25-14-16(10-23-25)18-12-21-17(11-22-18)15-7-6-9-24(13-15)19(26)20(2,3)4/h10-12,14-15H,5-9,13H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 355.49 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-[5-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110102340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).