4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one

C16H25N5O2 — CID 133464582

IUPAC4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCOCC1CCCN(c2cc(N3CCN(C)C(=O)C3)ncn2)C1
InChIInChI=1S/C16H25N5O2/c1-19-6-7-21(10-16(19)22)15-8-14(17-12-18-15)20-5-3-4-13(9-20)11-23-2/h8,12-13H,3-7,9-11H2,1-2H3
InChIKeyDQYPVXCFRARCFH-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.62
Rot. Bonds4

About 4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 133464582) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID133464582
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCOCC1CCCN(c2cc(N3CCN(C)C(=O)C3)ncn2)C1
InChIInChI=1S/C16H25N5O2/c1-19-6-7-21(10-16(19)22)15-8-14(17-12-18-15)20-5-3-4-13(9-20)11-23-2/h8,12-13H,3-7,9-11H2,1-2H3
InChIKeyDQYPVXCFRARCFH-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidin-3-yl]acetamide
CID 133490381
1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 122051078
4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 129414399
4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464424
6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590145
1-methyl-4-[6-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]piperazin-2-one
CID 133464428
4-[6-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 138033398
4-[6-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464287
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 64596616
2-[3-(methoxymethyl)piperidin-1-yl]pyridin-4-amine
CID 106585882
1-methyl-4-[6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-2-one
CID 133492404

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 133464582) is 4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one is COCC1CCCN(c2cc(N3CCN(C)C(=O)C3)ncn2)C1.
What is the InChIKey of 4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is DQYPVXCFRARCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-19-6-7-21(10-16(19)22)15-8-14(17-12-18-15)20-5-3-4-13(9-20)11-23-2/h8,12-13H,3-7,9-11H2,1-2H3.
What are the key properties of 4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 319.41 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 133464582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).