4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one

C18H21N3O3 — CID 110332379

IUPAC4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCOc1cccc(-c2cc(C(=O)N3CCCC(C)C3)[nH]c(=O)n2)c1
InChIInChI=1S/C18H21N3O3/c1-12-5-4-8-21(11-12)17(22)16-10-15(19-18(23)20-16)13-6-3-7-14(9-13)24-2/h3,6-7,9-10,12H,4-5,8,11H2,1-2H3,(H,19,20,23)
InChIKeyKNYHKTHOFKWXOE-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.32
Rot. Bonds3

About 4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one

4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 110332379) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID110332379
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCOc1cccc(-c2cc(C(=O)N3CCCC(C)C3)[nH]c(=O)n2)c1
InChIInChI=1S/C18H21N3O3/c1-12-5-4-8-21(11-12)17(22)16-10-15(19-18(23)20-16)13-6-3-7-14(9-13)24-2/h3,6-7,9-10,12H,4-5,8,11H2,1-2H3,(H,19,20,23)
InChIKeyKNYHKTHOFKWXOE-UHFFFAOYSA-N
XLogP2.32
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295412
4-(3-methoxyphenyl)-6-(4-phenylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332367
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-(3-methylphenyl)piperidin-1-yl]methanone
CID 97124854
4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295361
[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46446368
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332158
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
4-(3-methoxyphenyl)-2-oxo-N-propyl-1H-pyrimidine-6-carboxamide
CID 110332321
(4-aminopiperidin-1-yl)-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 66485063
[6-(3-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211283
[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 20856255

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one (CID 110332379) is 4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one is COc1cccc(-c2cc(C(=O)N3CCCC(C)C3)[nH]c(=O)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is KNYHKTHOFKWXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-5-4-8-21(11-12)17(22)16-10-15(19-18(23)20-16)13-6-3-7-14(9-13)24-2/h3,6-7,9-10,12H,4-5,8,11H2,1-2H3,(H,19,20,23).
What are the key properties of 4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 327.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110332379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).