2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one

C20H25N3O4 — CID 97120908

IUPAC2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCCCO[C@@H]1CCCN(C(=O)c2cnc(COc3ccccc3)[nH]c2=O)C1
InChIInChI=1S/C20H25N3O4/c1-2-11-26-16-9-6-10-23(13-16)20(25)17-12-21-18(22-19(17)24)14-27-15-7-4-3-5-8-15/h3-5,7-8,12,16H,2,6,9-11,13-14H2,1H3,(H,21,22,24)/t16-/m1/s1
InChIKeyFKUOITUOKAGYGD-MRXNPFEDSA-N
MW371.44 g/mol
LogP2.38
Rot. Bonds7

About 2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one

2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 97120908) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID97120908
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCCCO[C@@H]1CCCN(C(=O)c2cnc(COc3ccccc3)[nH]c2=O)C1
InChIInChI=1S/C20H25N3O4/c1-2-11-26-16-9-6-10-23(13-16)20(25)17-12-21-18(22-19(17)24)14-27-15-7-4-3-5-8-15/h3-5,7-8,12,16H,2,6,9-11,13-14H2,1H3,(H,21,22,24)/t16-/m1/s1
InChIKeyFKUOITUOKAGYGD-MRXNPFEDSA-N
XLogP2.38
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-2-(phenoxymethyl)-1H-pyrimidin-6-one
CID 133112085
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 114923201
5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 99983565
1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 61171911
3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one
CID 95588730
[2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 95179553
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
5-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(phenoxymethyl)-1H-pyrimidin-6-one
CID 97134913
1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one
CID 42844214
[6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 81238498
(3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110090712
(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107074802

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 97120908) is 2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one is CCCO[C@@H]1CCCN(C(=O)c2cnc(COc3ccccc3)[nH]c2=O)C1.
What is the InChIKey of 2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is FKUOITUOKAGYGD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-2-11-26-16-9-6-10-23(13-16)20(25)17-12-21-18(22-19(17)24)14-27-15-7-4-3-5-8-15/h3-5,7-8,12,16H,2,6,9-11,13-14H2,1H3,(H,21,22,24)/t16-/m1/s1.
What are the key properties of 2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 371.44 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 97120908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).