2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C17H27N5O2S — CID 92567924

IUPAC2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(N1CCCCC1)N1CCc2nc(C3CCNCC3)ncc2C1
InChIInChI=1S/C17H27N5O2S/c23-25(24,21-9-2-1-3-10-21)22-11-6-16-15(13-22)12-19-17(20-16)14-4-7-18-8-5-14/h12,14,18H,1-11,13H2
InChIKeyJQDJVPUUJAHHOT-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.03
Rot. Bonds3

About 2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 92567924) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID92567924
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Name2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(N1CCCCC1)N1CCc2nc(C3CCNCC3)ncc2C1
InChIInChI=1S/C17H27N5O2S/c23-25(24,21-9-2-1-3-10-21)22-11-6-16-15(13-22)12-19-17(20-16)14-4-7-18-8-5-14/h12,14,18H,1-11,13H2
InChIKeyJQDJVPUUJAHHOT-UHFFFAOYSA-N
XLogP1.03
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 92567924) is 2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is O=S(=O)(N1CCCCC1)N1CCc2nc(C3CCNCC3)ncc2C1.
What is the InChIKey of 2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is JQDJVPUUJAHHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2S/c23-25(24,21-9-2-1-3-10-21)22-11-6-16-15(13-22)12-19-17(20-16)14-4-7-18-8-5-14/h12,14,18H,1-11,13H2.
What are the key properties of 2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 365.50 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-6-piperidin-1-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 92567924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).