2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid

C12H16N4O3 — CID 118137995

IUPAC2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid
SMILESO=C(NCc1cccnc1)C1CNCCN1C(=O)O
InChIInChI=1S/C12H16N4O3/c17-11(15-7-9-2-1-3-13-6-9)10-8-14-4-5-16(10)12(18)19/h1-3,6,10,14H,4-5,7-8H2,(H,15,17)(H,18,19)
InChIKeyFPOCCDJTTWVSNZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.35
Rot. Bonds3

About 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid

2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid (PubChem CID 118137995) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid
PubChem CID118137995
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid
SMILESO=C(NCc1cccnc1)C1CNCCN1C(=O)O
InChIInChI=1S/C12H16N4O3/c17-11(15-7-9-2-1-3-13-6-9)10-8-14-4-5-16(10)12(18)19/h1-3,6,10,14H,4-5,7-8H2,(H,15,17)(H,18,19)
InChIKeyFPOCCDJTTWVSNZ-UHFFFAOYSA-N
XLogP-0.35
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 22557197
(2S)-N-(pyridin-3-ylmethyl)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperazine-2-carboxamide
CID 95707917
2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 119470768
(2S)-1-N-phenyl-2-N-(pyridin-3-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 95347813
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813
(4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 97212140
1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 56894686
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
(2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide
CID 124958895
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid?
The IUPAC name of 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid (CID 118137995) is 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid is O=C(NCc1cccnc1)C1CNCCN1C(=O)O.
What is the InChIKey of 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid?
The InChIKey is FPOCCDJTTWVSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c17-11(15-7-9-2-1-3-13-6-9)10-8-14-4-5-16(10)12(18)19/h1-3,6,10,14H,4-5,7-8H2,(H,15,17)(H,18,19).
What are the key properties of 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid?
2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 118137995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).