methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate

C17H21N3O3 — CID 110803299

IUPACmethyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2c(C)n(C)c3ccccc23)CC1
InChIInChI=1S/C17H21N3O3/c1-12-15(13-6-4-5-7-14(13)18(12)2)16(21)19-8-10-20(11-9-19)17(22)23-3/h4-7H,8-11H2,1-3H3
InChIKeyORJHOUPUGXMRSN-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.01
Rot. Bonds1

About methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate

methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate (PubChem CID 110803299) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate
PubChem CID110803299
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Namemethyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2c(C)n(C)c3ccccc23)CC1
InChIInChI=1S/C17H21N3O3/c1-12-15(13-6-4-5-7-14(13)18(12)2)16(21)19-8-10-20(11-9-19)17(22)23-3/h4-7H,8-11H2,1-3H3
InChIKeyORJHOUPUGXMRSN-UHFFFAOYSA-N
XLogP2.01
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
CID 82300062
cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone
CID 110801629
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815350
1-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803980
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110801875
4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805060
(1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809906
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
4-(1,2-dimethylindole-3-carbonyl)-2-methylmorpholine-2-carboxamide
CID 110268334
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone
CID 124996348
methyl 4-(2,4,6-trimethylbenzoyl)piperazine-1-carboxylate
CID 110803264

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate (CID 110803299) is methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2c(C)n(C)c3ccccc23)CC1.
What is the InChIKey of methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is ORJHOUPUGXMRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-15(13-6-4-5-7-14(13)18(12)2)16(21)19-8-10-20(11-9-19)17(22)23-3/h4-7H,8-11H2,1-3H3.
What are the key properties of methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate?
methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110803299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).