ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate

C19H25N3O3 — CID 113208970

IUPACethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(C)(C)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H25N3O3/c1-4-25-18(24)22-11-9-21(10-12-22)17(23)19(2,3)15-13-20-16-8-6-5-7-14(15)16/h5-8,13,20H,4,9-12H2,1-3H3
InChIKeyQTKTZLWCCXJTMY-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.75
Rot. Bonds3

About ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate

ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate (PubChem CID 113208970) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate
PubChem CID113208970
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nameethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(C)(C)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H25N3O3/c1-4-25-18(24)22-11-9-21(10-12-22)17(23)19(2,3)15-13-20-16-8-6-5-7-14(15)16/h5-8,13,20H,4,9-12H2,1-3H3
InChIKeyQTKTZLWCCXJTMY-UHFFFAOYSA-N
XLogP2.75
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888926
ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 113209136
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one
CID 113209001
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one
CID 113209885
2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113209925
ethyl 4-[3-(benzylamino)-2,2-dimethyl-3-oxopropanoyl]piperazine-1-carboxylate
CID 108961528
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
ethyl 4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 31899581
2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one
CID 113210447
N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113208983
ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8545802

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate (CID 113208970) is ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(C)(C)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate?
The InChIKey is QTKTZLWCCXJTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-25-18(24)22-11-9-21(10-12-22)17(23)19(2,3)15-13-20-16-8-6-5-7-14(15)16/h5-8,13,20H,4,9-12H2,1-3H3.
What are the key properties of ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate?
ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 113208970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).