1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one

C18H29N5O — CID 133491988

IUPAC1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one
SMILESCCCC1(C)CCCN(c2cc(N3CCN(C)C(=O)C3)ncn2)C1
InChIInChI=1S/C18H29N5O/c1-4-6-18(2)7-5-8-23(13-18)16-11-15(19-14-20-16)22-10-9-21(3)17(24)12-22/h11,14H,4-10,12-13H2,1-3H3
InChIKeySUUWITBVWNIDRR-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.16
Rot. Bonds4

About 1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one

1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one (PubChem CID 133491988) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one
PubChem CID133491988
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one
SMILESCCCC1(C)CCCN(c2cc(N3CCN(C)C(=O)C3)ncn2)C1
InChIInChI=1S/C18H29N5O/c1-4-6-18(2)7-5-8-23(13-18)16-11-15(19-14-20-16)22-10-9-21(3)17(24)12-22/h11,14H,4-10,12-13H2,1-3H3
InChIKeySUUWITBVWNIDRR-UHFFFAOYSA-N
XLogP2.16
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one (CID 133491988) is 1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one is CCCC1(C)CCCN(c2cc(N3CCN(C)C(=O)C3)ncn2)C1.
What is the InChIKey of 1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one?
The InChIKey is SUUWITBVWNIDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-4-6-18(2)7-5-8-23(13-18)16-11-15(19-14-20-16)22-10-9-21(3)17(24)12-22/h11,14H,4-10,12-13H2,1-3H3.
What are the key properties of 1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one?
1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one has a molecular weight of 331.46 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-(3-methyl-3-propylpiperidin-1-yl)pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 133491988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).