4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid

C16H17N3O3 — CID 175295022

IUPAC4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cncc(-c3ccccc3)c2=O)CC1
InChIInChI=1S/C16H17N3O3/c20-15-14(12-4-2-1-3-5-12)10-17-11-19(15)13-6-8-18(9-7-13)16(21)22/h1-5,10-11,13H,6-9H2,(H,21,22)
InChIKeyBTOWHYNWGILIQN-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.23
Rot. Bonds2

About 4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid

4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid (PubChem CID 175295022) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid
PubChem CID175295022
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cncc(-c3ccccc3)c2=O)CC1
InChIInChI=1S/C16H17N3O3/c20-15-14(12-4-2-1-3-5-12)10-17-11-19(15)13-6-8-18(9-7-13)16(21)22/h1-5,10-11,13H,6-9H2,(H,21,22)
InChIKeyBTOWHYNWGILIQN-UHFFFAOYSA-N
XLogP2.23
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
4-[(1R)-1-hydroxy-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxylic acid
CID 118690862
2-[2-(3-cyclopropylimidazol-4-yl)phenyl]acetic acid
CID 84737107
4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid
CID 67319499
3-cyclopentylimidazole-4-carboxylic acid
CID 83875408
4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
CID 46344313
3-[[(2S,6R)-2,6-dimethyloxan-4-yl]methyl]-5-phenylpyrimidin-4-one
CID 167969229
4-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)imidazol-1-yl]piperidine-1-carboxylic acid
CID 174599721
4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid
CID 175295010
(3S,4S)-4-hydroxy-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-carboxylic acid
CID 137405946
4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 151080045
4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid
CID 170164415

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid (CID 175295022) is 4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(n2cncc(-c3ccccc3)c2=O)CC1.
What is the InChIKey of 4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is BTOWHYNWGILIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15-14(12-4-2-1-3-5-12)10-17-11-19(15)13-6-8-18(9-7-13)16(21)22/h1-5,10-11,13H,6-9H2,(H,21,22).
What are the key properties of 4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid?
4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxo-5-phenylpyrimidin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 175295022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).