1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide

C13H19ClN4O2 — CID 103197437

IUPAC1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(Cl)nc(COC)n2)C1
InChIInChI=1S/C13H19ClN4O2/c1-15-13(19)9-4-3-5-18(7-9)12-6-10(14)16-11(17-12)8-20-2/h6,9H,3-5,7-8H2,1-2H3,(H,15,19)
InChIKeyVKPYHXPWNWWREZ-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.24
Rot. Bonds4

About 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide

1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide (PubChem CID 103197437) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
PubChem CID103197437
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(Cl)nc(COC)n2)C1
InChIInChI=1S/C13H19ClN4O2/c1-15-13(19)9-4-3-5-18(7-9)12-6-10(14)16-11(17-12)8-20-2/h6,9H,3-5,7-8H2,1-2H3,(H,15,19)
InChIKeyVKPYHXPWNWWREZ-UHFFFAOYSA-N
XLogP1.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103197446
1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 113401025
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103198582
(4aR,8aR)-1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727533
1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 110277709
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 166605152
(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
CID 94830339
1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133400612
1-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]piperidin-3-ol
CID 113401369
3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 113400951

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide (CID 103197437) is 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2cc(Cl)nc(COC)n2)C1.
What is the InChIKey of 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide?
The InChIKey is VKPYHXPWNWWREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-15-13(19)9-4-3-5-18(7-9)12-6-10(14)16-11(17-12)8-20-2/h6,9H,3-5,7-8H2,1-2H3,(H,15,19).
What are the key properties of 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide?
1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103197437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).