1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid

C21H23N5O4 — CID 147948211

IUPAC1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(NC1Cc2ccccc2C1)c1nccnc1NC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C21H23N5O4/c27-19(24-16-10-13-4-1-2-5-14(13)11-16)17-18(23-8-7-22-17)25-21(30)26-9-3-6-15(12-26)20(28)29/h1-2,4-5,7-8,15-16H,3,6,9-12H2,(H,24,27)(H,28,29)(H,23,25,30)
InChIKeyINCAGWNZWDRPCS-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.70
Rot. Bonds4

About 1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid

1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 147948211) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID147948211
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(NC1Cc2ccccc2C1)c1nccnc1NC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C21H23N5O4/c27-19(24-16-10-13-4-1-2-5-14(13)11-16)17-18(23-8-7-22-17)25-21(30)26-9-3-6-15(12-26)20(28)29/h1-2,4-5,7-8,15-16H,3,6,9-12H2,(H,24,27)(H,28,29)(H,23,25,30)
InChIKeyINCAGWNZWDRPCS-UHFFFAOYSA-N
XLogP1.70
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide
CID 169247880
N-(2,3-dihydro-1H-inden-2-yl)-3-(piperidine-2-carbonylamino)pyrazine-2-carboxamide
CID 146694117
N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide
CID 157302652
3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
N-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide
CID 53166582
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089896
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489
(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120212
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3R)-3-N-cyclohexyl-1-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 95154562

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid (CID 147948211) is 1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid is O=C(NC1Cc2ccccc2C1)c1nccnc1NC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is INCAGWNZWDRPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c27-19(24-16-10-13-4-1-2-5-14(13)11-16)17-18(23-8-7-22-17)25-21(30)26-9-3-6-15(12-26)20(28)29/h1-2,4-5,7-8,15-16H,3,6,9-12H2,(H,24,27)(H,28,29)(H,23,25,30).
What are the key properties of 1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 409.45 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 147948211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).