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

C14H23N3O2 — CID 136822001

IUPAC4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCC1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C14H23N3O2/c1-10(2)14-15-12(7-13(18)16-14)17-6-4-5-11(8-17)9-19-3/h7,10-11H,4-6,8-9H2,1-3H3,(H,15,16,18)
InChIKeyZMDHGQPPTBZNRC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.76
Rot. Bonds4

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

4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136822001) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136822001
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCC1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C14H23N3O2/c1-10(2)14-15-12(7-13(18)16-14)17-6-4-5-11(8-17)9-19-3/h7,10-11H,4-6,8-9H2,1-3H3,(H,15,16,18)
InChIKeyZMDHGQPPTBZNRC-UHFFFAOYSA-N
XLogP1.76
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 136958773
2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821998
4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137013272
4-(4-methylazepan-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989987
2-cyclopropyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137009758
4-[3-(methylamino)pyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978866
6-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 106590173
2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977973
methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 137009937
[2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine
CID 106589236
2-propan-2-yl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009792
4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973398

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136822001) is 4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one is COCC1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1.
What is the InChIKey of 4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZMDHGQPPTBZNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)14-15-12(7-13(18)16-14)17-6-4-5-11(8-17)9-19-3/h7,10-11H,4-6,8-9H2,1-3H3,(H,15,16,18).
What are the key properties of 4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136822001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).