5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid

C16H24N4O2 — CID 122106917

IUPAC5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(c2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C16H24N4O2/c1-12-7-13(16(21)22)10-20(9-12)15-8-14(17-11-18-15)19-5-3-2-4-6-19/h8,11-13H,2-7,9-10H2,1H3,(H,21,22)
InChIKeyBCGVHGZOKFRTHF-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.01
Rot. Bonds3

About 5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid

5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 122106917) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID122106917
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(c2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C16H24N4O2/c1-12-7-13(16(21)22)10-20(9-12)15-8-14(17-11-18-15)19-5-3-2-4-6-19/h8,11-13H,2-7,9-10H2,1H3,(H,21,22)
InChIKeyBCGVHGZOKFRTHF-UHFFFAOYSA-N
XLogP2.01
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine
CID 174573496
(2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94074788
1-[(3R,4R)-4-hydroxy-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134702084
5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 122106606
(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95366508
N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133293470
1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 122051078
1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106508
5-methyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 122117997
1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106845

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (CID 122106917) is 5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(c2cc(N3CCCCC3)ncn2)C1.
What is the InChIKey of 5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is BCGVHGZOKFRTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-7-13(16(21)22)10-20(9-12)15-8-14(17-11-18-15)19-5-3-2-4-6-19/h8,11-13H,2-7,9-10H2,1H3,(H,21,22).
What are the key properties of 5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122106917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).