2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid

C11H14N4O3 — CID 150144828

IUPAC2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid
SMILESNC(=O)c1cncc(C2CNCCN2C(=O)O)c1
InChIInChI=1S/C11H14N4O3/c12-10(16)8-3-7(4-14-5-8)9-6-13-1-2-15(9)11(17)18/h3-5,9,13H,1-2,6H2,(H2,12,16)(H,17,18)
InChIKeyFEAKBONZMUHNDY-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.20
Rot. Bonds2

About 2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid

2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid (PubChem CID 150144828) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid
PubChem CID150144828
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid
SMILESNC(=O)c1cncc(C2CNCCN2C(=O)O)c1
InChIInChI=1S/C11H14N4O3/c12-10(16)8-3-7(4-14-5-8)9-6-13-1-2-15(9)11(17)18/h3-5,9,13H,1-2,6H2,(H2,12,16)(H,17,18)
InChIKeyFEAKBONZMUHNDY-UHFFFAOYSA-N
XLogP-0.20
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)piperazine-1-carboxylic acid
CID 22037137
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride
CID 120731940
5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
CID 67600722
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid
CID 157205179
5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
CID 67599687
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 120729201
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369
3-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
CID 120731146
5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
CID 57085900
[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120729515

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid?
The IUPAC name of 2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid (CID 150144828) is 2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid is NC(=O)c1cncc(C2CNCCN2C(=O)O)c1.
What is the InChIKey of 2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid?
The InChIKey is FEAKBONZMUHNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-10(16)8-3-7(4-14-5-8)9-6-13-1-2-15(9)11(17)18/h3-5,9,13H,1-2,6H2,(H2,12,16)(H,17,18).
What are the key properties of 2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid?
2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamoyl-3-pyridinyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 150144828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).