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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533855
1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96572403
8-(1H-indole-6-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494072
ethane;1H-indole-6-carboxylic acid
CID 142472960
[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-(1H-indol-6-yl)methanone
CID 133127608
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 72892075
[2-(1H-indole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-phenylmethanone
CID 167847240
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(1H-indol-6-yl)methanone
CID 121184526
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
CID 56913872
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone
CID 97216081
ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
CID 39715931
8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11682270

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).