piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride

C14H18ClN3O3 — CID 162440782

IUPACpiperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride
SMILESCl.O=C(OC(=O)N1CCNCC1)c1ccc2c(c1)NCC2
InChIInChI=1S/C14H17N3O3.ClH/c18-13(20-14(19)17-7-5-15-6-8-17)11-2-1-10-3-4-16-12(10)9-11;/h1-2,9,15-16H,3-8H2;1H
InChIKeyHIEXNUCMXWDRTA-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.26
Rot. Bonds1

About piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride

piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride (PubChem CID 162440782) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namepiperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride
PubChem CID162440782
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Namepiperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride
SMILESCl.O=C(OC(=O)N1CCNCC1)c1ccc2c(c1)NCC2
InChIInChI=1S/C14H17N3O3.ClH/c18-13(20-14(19)17-7-5-15-6-8-17)11-2-1-10-3-4-16-12(10)9-11;/h1-2,9,15-16H,3-8H2;1H
InChIKeyHIEXNUCMXWDRTA-UHFFFAOYSA-N
XLogP1.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride?
The IUPAC name of piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride (CID 162440782) is piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride.
What is the SMILES notation for piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride?
The canonical SMILES for piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride is Cl.O=C(OC(=O)N1CCNCC1)c1ccc2c(c1)NCC2.
What is the InChIKey of piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride?
The InChIKey is HIEXNUCMXWDRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.ClH/c18-13(20-14(19)17-7-5-15-6-8-17)11-2-1-10-3-4-16-12(10)9-11;/h1-2,9,15-16H,3-8H2;1H.
What are the key properties of piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride?
piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1-carbonyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride is sourced from PubChem (CID 162440782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).