4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one

C14H21N3O2 — CID 136569055

IUPAC4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(OCC3CC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O2/c1-10-15-13(8-14(18)16-10)17-6-4-12(5-7-17)19-9-11-2-3-11/h8,11-12H,2-7,9H2,1H3,(H,15,16,18)
InChIKeyFLOSLRIKNRKLLM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.47
Rot. Bonds4

About 4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one

4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136569055) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136569055
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(OCC3CC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O2/c1-10-15-13(8-14(18)16-10)17-6-4-12(5-7-17)19-9-11-2-3-11/h8,11-12H,2-7,9H2,1H3,(H,15,16,18)
InChIKeyFLOSLRIKNRKLLM-UHFFFAOYSA-N
XLogP1.47
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 136569055) is 4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCC(OCC3CC3)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is FLOSLRIKNRKLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-15-13(8-14(18)16-10)17-6-4-12(5-7-17)19-9-11-2-3-11/h8,11-12H,2-7,9H2,1H3,(H,15,16,18).
What are the key properties of 4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136569055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).