benzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate

C20H23N3O2 — CID 133060815

IUPACbenzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2ccc3c(c2)NCC3)CC1
InChIInChI=1S/C20H23N3O2/c24-20(25-15-16-4-2-1-3-5-16)23-12-10-22(11-13-23)18-7-6-17-8-9-21-19(17)14-18/h1-7,14,21H,8-13,15H2
InChIKeyLEYPPQRKBWRELC-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.11
Rot. Bonds3

About benzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate

benzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate (PubChem CID 133060815) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is benzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate
PubChem CID133060815
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Namebenzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2ccc3c(c2)NCC3)CC1
InChIInChI=1S/C20H23N3O2/c24-20(25-15-16-4-2-1-3-5-16)23-12-10-22(11-13-23)18-7-6-17-8-9-21-19(17)14-18/h1-7,14,21H,8-13,15H2
InChIKeyLEYPPQRKBWRELC-UHFFFAOYSA-N
XLogP3.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[4-(3,4-dihydro-2H-quinoxalin-1-yl)phenyl]piperazine-1-carboxylate
CID 66863213
benzyl 4-(2-oxo-1,3-dihydroindol-5-yl)piperazine-1-carboxylate
CID 110414727
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
CID 44511304
benzyl 4-(2,3-dihydro-1H-indol-4-yl)piperazine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 170160254
benzyl 4-[4-(2-aminoethyl)-3-chlorophenyl]piperazine-1-carboxylate
CID 164518045
benzyl 4-[3,4-bis(methoxymethoxy)phenyl]piperazine-1-carboxylate
CID 176656702
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
benzyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate
CID 133397558

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate (CID 133060815) is benzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(c2ccc3c(c2)NCC3)CC1.
What is the InChIKey of benzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate?
The InChIKey is LEYPPQRKBWRELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(25-15-16-4-2-1-3-5-16)23-12-10-22(11-13-23)18-7-6-17-8-9-21-19(17)14-18/h1-7,14,21H,8-13,15H2.
What are the key properties of benzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate?
benzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2,3-dihydro-1H-indol-6-yl)piperazine-1-carboxylate is sourced from PubChem (CID 133060815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).