1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid

C14H18ClN3O3 — CID 62087401

IUPAC1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C14H18ClN3O3/c1-8(2)12-16-6-10(15)11(17-12)13(19)18-5-3-4-9(7-18)14(20)21/h6,8-9H,3-5,7H2,1-2H3,(H,20,21)
InChIKeyRZSWOPVCZXUBLD-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.19
Rot. Bonds3

About 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid

1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 62087401) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID62087401
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)c1ncc(Cl)c(C(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C14H18ClN3O3/c1-8(2)12-16-6-10(15)11(17-12)13(19)18-5-3-4-9(7-18)14(20)21/h6,8-9H,3-5,7H2,1-2H3,(H,20,21)
InChIKeyRZSWOPVCZXUBLD-UHFFFAOYSA-N
XLogP2.19
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxamide
CID 62088855
azocan-1-yl-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 62021698
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 55032845
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 47459227
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 62089029
1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-4-carbonitrile
CID 49061113
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 62086699
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644450
(2S,4S)-1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714564
1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 75421699
[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 86859216
(3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 99638878

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid (CID 62087401) is 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid is CC(C)c1ncc(Cl)c(C(=O)N2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is RZSWOPVCZXUBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-8(2)12-16-6-10(15)11(17-12)13(19)18-5-3-4-9(7-18)14(20)21/h6,8-9H,3-5,7H2,1-2H3,(H,20,21).
What are the key properties of 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid?
1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 311.77 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 62087401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).