1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid

C19H20N4O3 — CID 56907275

IUPAC1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1nccn1C1(C(=O)O)CCN(C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C19H20N4O3/c1-13-20-8-11-23(13)19(18(25)26)5-9-22(10-6-19)17(24)15-3-2-14-4-7-21-16(14)12-15/h2-4,7-8,11-12,21H,5-6,9-10H2,1H3,(H,25,26)
InChIKeySVYZPULKBGMVGV-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.39
Rot. Bonds3

About 1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid

1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56907275) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56907275
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1nccn1C1(C(=O)O)CCN(C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C19H20N4O3/c1-13-20-8-11-23(13)19(18(25)26)5-9-22(10-6-19)17(24)15-3-2-14-4-7-21-16(14)12-15/h2-4,7-8,11-12,21H,5-6,9-10H2,1H3,(H,25,26)
InChIKeySVYZPULKBGMVGV-UHFFFAOYSA-N
XLogP2.39
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid (CID 56907275) is 1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid is Cc1nccn1C1(C(=O)O)CCN(C(=O)c2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of 1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is SVYZPULKBGMVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-20-8-11-23(13)19(18(25)26)5-9-22(10-6-19)17(24)15-3-2-14-4-7-21-16(14)12-15/h2-4,7-8,11-12,21H,5-6,9-10H2,1H3,(H,25,26).
What are the key properties of 1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid?
1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indole-6-carbonyl)-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56907275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).