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'}

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Related Compounds

prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride
CID 66972289
2,3-dihydro-1H-indol-6-yl(morpholin-4-yl)methanone
CID 90299623
7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 13369863
cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate
CID 113382406
2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780631
2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222896
2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one
CID 82263601
1-ethoxypropan-2-yl 2,3-dihydro-1H-indole-6-carboxylate
CID 103489060
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone
CID 114459940
1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one
CID 116612061
2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392419
4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102888861

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).