1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid

C12H15N3O4 — CID 43354154

IUPAC1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2cccnc2=O)CC1
InChIInChI=1S/C12H15N3O4/c16-10(8-15-5-1-4-13-12(15)19)14-6-2-9(3-7-14)11(17)18/h1,4-5,9H,2-3,6-8H2,(H,17,18)
InChIKeyHAJPPXAOBJDNIJ-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.43
Rot. Bonds3

About 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 43354154) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID43354154
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cn2cccnc2=O)CC1
InChIInChI=1S/C12H15N3O4/c16-10(8-15-5-1-4-13-12(15)19)14-6-2-9(3-7-14)11(17)18/h1,4-5,9H,2-3,6-8H2,(H,17,18)
InChIKeyHAJPPXAOBJDNIJ-UHFFFAOYSA-N
XLogP-0.43
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 43170997
4-[Methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43360045
Ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate
CID 43431613
Methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate
CID 43431614
1-[2-[4-(Hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 54878258
3-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-4-yl]propanoic acid
CID 62218176
2-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 62689562
1-[2-(2-Oxopyrimidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 63007290
4-Methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 63123079
4-Ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 63125309
1-[2-(5-Methyl-2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 63206073
2-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]azetidin-3-yl]acetic acid
CID 64605362

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid (CID 43354154) is 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Cn2cccnc2=O)CC1.
What is the InChIKey of 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is HAJPPXAOBJDNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10(8-15-5-1-4-13-12(15)19)14-6-2-9(3-7-14)11(17)18/h1,4-5,9H,2-3,6-8H2,(H,17,18).
What are the key properties of 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43354154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).