2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C14H21N3O2 — CID 136702377

IUPAC2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CN(c2cc(=O)[nH]c(C3CC3)n2)CCC1C
InChIInChI=1S/C14H21N3O2/c1-9-5-6-17(8-11(9)19-2)12-7-13(18)16-14(15-12)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,15,16,18)
InChIKeyKFXVDIITYVLYTB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.51
Rot. Bonds3

About 2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136702377) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136702377
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CN(c2cc(=O)[nH]c(C3CC3)n2)CCC1C
InChIInChI=1S/C14H21N3O2/c1-9-5-6-17(8-11(9)19-2)12-7-13(18)16-14(15-12)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,15,16,18)
InChIKeyKFXVDIITYVLYTB-UHFFFAOYSA-N
XLogP1.51
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102954448
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
2-cyclopropyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954733
2-cyclopropyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241387
4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 104939639
4-piperidin-3-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604870
2-cyclopropyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 113604897
2-ethyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 113756889
2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586401
4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136569055
2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696647
4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702378

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136702377) is 2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is COC1CN(c2cc(=O)[nH]c(C3CC3)n2)CCC1C.
What is the InChIKey of 2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is KFXVDIITYVLYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-5-6-17(8-11(9)19-2)12-7-13(18)16-14(15-12)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,15,16,18).
What are the key properties of 2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136702377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).