1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide

C11H15ClN4O2 — CID 133366062

IUPAC1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1ncc(Cl)c(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C11H15ClN4O2/c1-18-11-14-6-8(12)10(15-11)16-4-2-7(3-5-16)9(13)17/h6-7H,2-5H2,1H3,(H2,13,17)
InChIKeyXIPKFCISFYSVRF-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.84
Rot. Bonds3

About 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide

1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 133366062) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID133366062
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1ncc(Cl)c(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C11H15ClN4O2/c1-18-11-14-6-8(12)10(15-11)16-4-2-7(3-5-16)9(13)17/h6-7H,2-5H2,1H3,(H2,13,17)
InChIKeyXIPKFCISFYSVRF-UHFFFAOYSA-N
XLogP0.84
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide (CID 133366062) is 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide is COc1ncc(Cl)c(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is XIPKFCISFYSVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-18-11-14-6-8(12)10(15-11)16-4-2-7(3-5-16)9(13)17/h6-7H,2-5H2,1H3,(H2,13,17).
What are the key properties of 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide?
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 133366062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).