1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid

C13H17N3O3 — CID 110836362

IUPAC1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
SMILESCc1ncc(C(=O)N2CCC(C(=O)O)CC2)c(C)n1
InChIInChI=1S/C13H17N3O3/c1-8-11(7-14-9(2)15-8)12(17)16-5-3-10(4-6-16)13(18)19/h7,10H,3-6H2,1-2H3,(H,18,19)
InChIKeyOZZCQPADDUFCPO-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.03
Rot. Bonds2

About 1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid

1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 110836362) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID110836362
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
SMILESCc1ncc(C(=O)N2CCC(C(=O)O)CC2)c(C)n1
InChIInChI=1S/C13H17N3O3/c1-8-11(7-14-9(2)15-8)12(17)16-5-3-10(4-6-16)13(18)19/h7,10H,3-6H2,1-2H3,(H,18,19)
InChIKeyOZZCQPADDUFCPO-UHFFFAOYSA-N
XLogP1.03
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836281
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylic acid
CID 119349284
1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
CID 43354172
(2,4-dimethylpyrimidin-5-yl)-[(4S,5S)-4-hydroxy-5-pyridin-3-yloxyazepan-1-yl]methanone
CID 110128640
[4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70773461
N-[1-(2,4-dimethylpyrimidine-5-carbonyl)azepan-4-yl]-N-methyl-1-phenylmethanesulfonamide
CID 110248529
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
(4-methylpiperidin-1-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 100752713
(3S)-3-[1-(2,4-dimethylpyrimidine-5-carbonyl)piperidin-4-yl]-3-methyl-1-(2-phenylethyl)azepan-2-one
CID 92631337
3-[1-(2,4-dimethylpyrimidine-5-carbonyl)piperidin-4-yl]-3-methyl-1-(2-phenylethyl)azepan-2-one
CID 110261891
(2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124965745

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid (CID 110836362) is 1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid is Cc1ncc(C(=O)N2CCC(C(=O)O)CC2)c(C)n1.
What is the InChIKey of 1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is OZZCQPADDUFCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-11(7-14-9(2)15-8)12(17)16-5-3-10(4-6-16)13(18)19/h7,10H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid?
1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 110836362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).