4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C14H22N4O2S — CID 106780480

IUPAC4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCS(=O)(=O)N1CCCC(Cc2ncnc3c2CNCC3)C1
InChIInChI=1S/C14H22N4O2S/c1-21(19,20)18-6-2-3-11(9-18)7-14-12-8-15-5-4-13(12)16-10-17-14/h10-11,15H,2-9H2,1H3
InChIKeyWTUSZDZSUJLZIT-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.34
Rot. Bonds3

About 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 106780480) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID106780480
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCS(=O)(=O)N1CCCC(Cc2ncnc3c2CNCC3)C1
InChIInChI=1S/C14H22N4O2S/c1-21(19,20)18-6-2-3-11(9-18)7-14-12-8-15-5-4-13(12)16-10-17-14/h10-11,15H,2-9H2,1H3
InChIKeyWTUSZDZSUJLZIT-UHFFFAOYSA-N
XLogP0.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804524
4-chloro-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 95804176
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124995645
4-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazin-2-yl]benzoic acid
CID 110112210
4-(4-methylsulfonylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56889018
1-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,4-diazepan-2-one
CID 79622206
2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine
CID 110257699
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine
CID 110257244
4,5-dimethyl-2-[6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-yl]-1,3-thiazole
CID 132765382
2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine
CID 79610285
3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohept-2-en-1-amine
CID 107383254
3-(4-chlorobutyl)-1-methylsulfonylpiperidine
CID 79622058

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 106780480) is 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CS(=O)(=O)N1CCCC(Cc2ncnc3c2CNCC3)C1.
What is the InChIKey of 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is WTUSZDZSUJLZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-21(19,20)18-6-2-3-11(9-18)7-14-12-8-15-5-4-13(12)16-10-17-14/h10-11,15H,2-9H2,1H3.
What are the key properties of 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 310.42 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylsulfonylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 106780480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).