ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate

C17H20ClN3O3 — CID 110853989

IUPACethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3cccc(Cl)c3n2C)CC1
InChIInChI=1S/C17H20ClN3O3/c1-3-24-17(23)21-9-7-20(8-10-21)16(22)14-11-12-5-4-6-13(18)15(12)19(14)2/h4-6,11H,3,7-10H2,1-2H3
InChIKeyUZRAQMNQPYFGGX-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.75
Rot. Bonds2

About ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate (PubChem CID 110853989) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
PubChem CID110853989
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Nameethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3cccc(Cl)c3n2C)CC1
InChIInChI=1S/C17H20ClN3O3/c1-3-24-17(23)21-9-7-20(8-10-21)16(22)14-11-12-5-4-6-13(18)15(12)19(14)2/h4-6,11H,3,7-10H2,1-2H3
InChIKeyUZRAQMNQPYFGGX-UHFFFAOYSA-N
XLogP2.75
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849758
7-(7-chloro-1-methylindole-2-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 119062772
(2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone
CID 55881568
ethyl 4-(3-sulfanylbenzoyl)piperazine-1-carboxylate
CID 107877787
ethyl 4-[6-(azepane-1-carbonyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098906
ethyl 4-(3-chlorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798803
ethyl 4-[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 42759373
(4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone
CID 72848626
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
7-chloro-1-propylindole-2-carboxylic acid
CID 83968460
2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid
CID 56902551
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate (CID 110853989) is ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc3cccc(Cl)c3n2C)CC1.
What is the InChIKey of ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is UZRAQMNQPYFGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-3-24-17(23)21-9-7-20(8-10-21)16(22)14-11-12-5-4-6-13(18)15(12)19(14)2/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 349.82 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110853989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).