1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C14H19N3O4 — CID 138385769

IUPAC1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCC(C2(O)CC2)CC1
InChIInChI=1S/C14H19N3O4/c18-11-3-8-17(13(20)15-11)9-12(19)16-6-1-10(2-7-16)14(21)4-5-14/h3,8,10,21H,1-2,4-7,9H2,(H,15,18,20)
InChIKeyQPGVYMJMQGXPJL-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.70
Rot. Bonds3

About 1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 138385769) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID138385769
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCC(C2(O)CC2)CC1
InChIInChI=1S/C14H19N3O4/c18-11-3-8-17(13(20)15-11)9-12(19)16-6-1-10(2-7-16)14(21)4-5-14/h3,8,10,21H,1-2,4-7,9H2,(H,15,18,20)
InChIKeyQPGVYMJMQGXPJL-UHFFFAOYSA-N
XLogP-0.70
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612721
1-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489829
1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119493465
1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 91774958
1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 71977444
1-[2-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 163310099
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489540
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 25343856
(2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 79034879
1-[2-oxo-2-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethyl]pyrimidine-2,4-dione
CID 72853609
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
1-[2-[(3R,4R)-3-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 72919872

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 138385769) is 1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(C2(O)CC2)CC1.
What is the InChIKey of 1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is QPGVYMJMQGXPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-11-3-8-17(13(20)15-11)9-12(19)16-6-1-10(2-7-16)14(21)4-5-14/h3,8,10,21H,1-2,4-7,9H2,(H,15,18,20).
What are the key properties of 1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 293.32 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 138385769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).