methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate

C15H19N3O3 — CID 76894114

IUPACmethyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C2Cc3ccccc3N2)CC1
InChIInChI=1S/C15H19N3O3/c1-21-15(20)18-8-6-17(7-9-18)14(19)13-10-11-4-2-3-5-12(11)16-13/h2-5,13,16H,6-10H2,1H3
InChIKeyRTXIOLREUMOCAZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.93
Rot. Bonds1

About methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate

methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate (PubChem CID 76894114) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate
PubChem CID76894114
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Namemethyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C2Cc3ccccc3N2)CC1
InChIInChI=1S/C15H19N3O3/c1-21-15(20)18-8-6-17(7-9-18)14(19)13-10-11-4-2-3-5-12(11)16-13/h2-5,13,16H,6-10H2,1H3
InChIKeyRTXIOLREUMOCAZ-UHFFFAOYSA-N
XLogP0.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
2,3-dihydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 76891866
(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone
CID 76903989
2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 77002747
2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103602
(4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone
CID 62084353
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
[(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597075
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
[(2R)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591695
2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone
CID 77064458

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate (CID 76894114) is methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)C2Cc3ccccc3N2)CC1.
What is the InChIKey of methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is RTXIOLREUMOCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-15(20)18-8-6-17(7-9-18)14(19)13-10-11-4-2-3-5-12(11)16-13/h2-5,13,16H,6-10H2,1H3.
What are the key properties of methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate?
methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 76894114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).