1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one

C19H23N3O2 — CID 118722994

IUPAC1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one
SMILESCc1cc(OCCCN2CCC(=O)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H23N3O2/c1-15-14-18(21-19(20-15)16-6-3-2-4-7-16)24-13-5-10-22-11-8-17(23)9-12-22/h2-4,6-7,14H,5,8-13H2,1H3
InChIKeyZWKHXGYCFUWXCI-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.89
Rot. Bonds6

About 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one

1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one (PubChem CID 118722994) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one
PubChem CID118722994
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one
SMILESCc1cc(OCCCN2CCC(=O)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H23N3O2/c1-15-14-18(21-19(20-15)16-6-3-2-4-7-16)24-13-5-10-22-11-8-17(23)9-12-22/h2-4,6-7,14H,5,8-13H2,1H3
InChIKeyZWKHXGYCFUWXCI-UHFFFAOYSA-N
XLogP2.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Enecadin
CID 6433114
4-(4-Fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy)pyrimidine hydrochloride
CID 9800750
5-Chloro-2-(3,4-difluorophenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 118723364
2,4-Diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723352
6-(methoxymethyl)-2-phenyl-4-pyrimidinyl N,N-dimethylcarbamate
CID 2730251
4-Methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 21760780
5-Chloro-2-(4-chlorophenyl)-4-methyl-6-(3-(piperidin-1-yl)propoxy)pyrimidine
CID 101910737
4-Methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine
CID 118722990
4-[3-(3,5-Dimethylpiperidin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine
CID 118722991
4-Methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine
CID 118722992
1-[3-(6-Methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol
CID 118722993
4-Methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine
CID 118722995

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one?
The IUPAC name of 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one (CID 118722994) is 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one?
The canonical SMILES for 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one is Cc1cc(OCCCN2CCC(=O)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one?
The InChIKey is ZWKHXGYCFUWXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-14-18(21-19(20-15)16-6-3-2-4-7-16)24-13-5-10-22-11-8-17(23)9-12-22/h2-4,6-7,14H,5,8-13H2,1H3.
What are the key properties of 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one?
1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one has a molecular weight of 325.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one is sourced from PubChem (CID 118722994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).