1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione

C19H23N3O3 — CID 72871274

IUPAC1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione
SMILESCC1(c2ccccc2)CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C19H23N3O3/c1-19(15-6-3-2-4-7-15)10-5-11-22(14-19)17(24)9-13-21-12-8-16(23)20-18(21)25/h2-4,6-8,12H,5,9-11,13-14H2,1H3,(H,20,23,25)
InChIKeyXRMZTBXCVCXRKR-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.51
Rot. Bonds4

About 1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione

1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 72871274) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID72871274
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione
SMILESCC1(c2ccccc2)CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C19H23N3O3/c1-19(15-6-3-2-4-7-15)10-5-11-22(14-19)17(24)9-13-21-12-8-16(23)20-18(21)25/h2-4,6-8,12H,5,9-11,13-14H2,1H3,(H,20,23,25)
InChIKeyXRMZTBXCVCXRKR-UHFFFAOYSA-N
XLogP1.51
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 97110704
5-methyl-1-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 72875718
1-[3-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 166309527
7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one
CID 119786941
[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 97141328
5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one
CID 70788411
2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone
CID 119786969
1-ethyl-4-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridin-2-one
CID 72931976
4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 120592389
2,4-dimethyl-5-[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136702711
(1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72938900
1-[3-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 90505651

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione (CID 72871274) is 1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione is CC1(c2ccccc2)CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1.
What is the InChIKey of 1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is XRMZTBXCVCXRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(15-6-3-2-4-7-15)10-5-11-22(14-19)17(24)9-13-21-12-8-16(23)20-18(21)25/h2-4,6-8,12H,5,9-11,13-14H2,1H3,(H,20,23,25).
What are the key properties of 1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 341.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 72871274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).