4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

C20H32N4O3 — CID 154567672

IUPAC4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCCCN1CCC(OC)(C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)CC1
InChIInChI=1S/C20H32N4O3/c1-4-9-23-12-7-20(27-3,8-13-23)19(26)24-10-5-16(6-11-24)17-14-18(25)22-15(2)21-17/h14,16H,4-13H2,1-3H3,(H,21,22,25)
InChIKeyYQCOJFSAEVQZIY-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.68
Rot. Bonds5

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

4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 154567672) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID154567672
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCCCN1CCC(OC)(C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)CC1
InChIInChI=1S/C20H32N4O3/c1-4-9-23-12-7-20(27-3,8-13-23)19(26)24-10-5-16(6-11-24)17-14-18(25)22-15(2)21-17/h14,16H,4-13H2,1-3H3,(H,21,22,25)
InChIKeyYQCOJFSAEVQZIY-UHFFFAOYSA-N
XLogP1.68
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (CID 154567672) is 4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is CCCN1CCC(OC)(C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)CC1.
What is the InChIKey of 4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is YQCOJFSAEVQZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-4-9-23-12-7-20(27-3,8-13-23)19(26)24-10-5-16(6-11-24)17-14-18(25)22-15(2)21-17/h14,16H,4-13H2,1-3H3,(H,21,22,25).
What are the key properties of 4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 376.50 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxy-1-propylpiperidine-4-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 154567672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).