1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid

C15H20N4O2 — CID 82250249

IUPAC1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncccc2C2=NCCCN2)CC1
InChIInChI=1S/C15H20N4O2/c20-15(21)11-4-9-19(10-5-11)14-12(3-1-6-18-14)13-16-7-2-8-17-13/h1,3,6,11H,2,4-5,7-10H2,(H,16,17)(H,20,21)
InChIKeyVOXSEAJECCHKGL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.12
Rot. Bonds3

About 1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid

1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 82250249) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID82250249
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncccc2C2=NCCCN2)CC1
InChIInChI=1S/C15H20N4O2/c20-15(21)11-4-9-19(10-5-11)14-12(3-1-6-18-14)13-16-7-2-8-17-13/h1,3,6,11H,2,4-5,7-10H2,(H,16,17)(H,20,21)
InChIKeyVOXSEAJECCHKGL-UHFFFAOYSA-N
XLogP1.12
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol
CID 82247966
2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]acetic acid
CID 82244984
2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 82248781
1-(3-hydroxy-2-pyridinyl)azetidine-3-carboxylic acid
CID 71649635
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
1-[3-[3-(cycloheptylmethylcarbamoyl)-4-methylphenyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 11662370
1-[3-(5-ethyl-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 45267519
3-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]propanoic acid
CID 82244461
2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82252768
3-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-pyrrol-2-yl]benzoic acid
CID 57003182
1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 71649612

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid (CID 82250249) is 1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ncccc2C2=NCCCN2)CC1.
What is the InChIKey of 1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is VOXSEAJECCHKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-15(21)11-4-9-19(10-5-11)14-12(3-1-6-18-14)13-16-7-2-8-17-13/h1,3,6,11H,2,4-5,7-10H2,(H,16,17)(H,20,21).
What are the key properties of 1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid?
1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82250249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).