3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one

C15H23N3O2 — CID 93477846

IUPAC3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one
SMILESCCCc1cc(=O)n(CC(=O)N2CCC[C@H](C)C2)cn1
InChIInChI=1S/C15H23N3O2/c1-3-5-13-8-14(19)18(11-16-13)10-15(20)17-7-4-6-12(2)9-17/h8,11-12H,3-7,9-10H2,1-2H3/t12-/m0/s1
InChIKeyFZAVYVFMXSNERY-LBPRGKRZSA-N
MW277.37 g/mol
LogP1.45
Rot. Bonds4

About 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one

3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one (PubChem CID 93477846) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one
PubChem CID93477846
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one
SMILESCCCc1cc(=O)n(CC(=O)N2CCC[C@H](C)C2)cn1
InChIInChI=1S/C15H23N3O2/c1-3-5-13-8-14(19)18(11-16-13)10-15(20)17-7-4-6-12(2)9-17/h8,11-12H,3-7,9-10H2,1-2H3/t12-/m0/s1
InChIKeyFZAVYVFMXSNERY-LBPRGKRZSA-N
XLogP1.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-isopropyl-3-(2-oxo-2-(piperidin-1-yl)ethyl)pyrimidin-4(3H)-one
CID 45535224
6-Cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3,4-dihydropyrimidin-4-one
CID 139028946
2-(4-cyclobutyl-6-oxopyrimidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 146084746
3-[2-Oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one
CID 146123651
6-methyl-3-(2-oxo-2-(piperidin-1-yl)ethyl)pyrimidin-4(3H)-one
CID 45534912
3-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)-6-propylpyrimidin-4(3H)-one
CID 45535068
6-isopropyl-3-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)pyrimidin-4(3H)-one
CID 45535225
6-Cyclopropyl-3-{[1-(propan-2-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126941648
N,N-diallyl-2-[3-(6-hydroxy-2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 135988320
Ethane;3-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-4-one
CID 178712860
3-Methyl-6-(1-methylpiperidin-4-yl)pyrimidin-4-one
CID 178712861
9-Methyl-2-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 12339722

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one?
The IUPAC name of 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one (CID 93477846) is 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one?
The canonical SMILES for 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one is CCCc1cc(=O)n(CC(=O)N2CCC[C@H](C)C2)cn1.
What is the InChIKey of 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one?
The InChIKey is FZAVYVFMXSNERY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-5-13-8-14(19)18(11-16-13)10-15(20)17-7-4-6-12(2)9-17/h8,11-12H,3-7,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one?
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one has a molecular weight of 277.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-propylpyrimidin-4-one is sourced from PubChem (CID 93477846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).