ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate

C19H25N3O4 — CID 113209618

IUPACethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2c[nH]c3ccc(OC)cc23)CC1
InChIInChI=1S/C19H25N3O4/c1-3-26-19(24)22-8-6-14(7-9-22)21-18(23)10-13-12-20-17-5-4-15(25-2)11-16(13)17/h4-5,11-12,14,20H,3,6-10H2,1-2H3,(H,21,23)
InChIKeySIQLRSCICHPLQS-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.46
Rot. Bonds5

About ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 113209618) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID113209618
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nameethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2c[nH]c3ccc(OC)cc23)CC1
InChIInChI=1S/C19H25N3O4/c1-3-26-19(24)22-8-6-14(7-9-22)21-18(23)10-13-12-20-17-5-4-15(25-2)11-16(13)17/h4-5,11-12,14,20H,3,6-10H2,1-2H3,(H,21,23)
InChIKeySIQLRSCICHPLQS-UHFFFAOYSA-N
XLogP2.46
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[3-(2,4-dimethoxyanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950268
ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
CID 51165109
2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 86985838
N-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 52898572
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
ethyl 4-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-1-carboxylate
CID 51193858
ethyl 4-[[2-(3-methoxyanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003753
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
2-(4-ethoxycarbonylpiperazin-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetic acid
CID 42650234
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide
CID 86985615
ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 110773503

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate (CID 113209618) is ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cc2c[nH]c3ccc(OC)cc23)CC1.
What is the InChIKey of ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is SIQLRSCICHPLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-26-19(24)22-8-6-14(7-9-22)21-18(23)10-13-12-20-17-5-4-15(25-2)11-16(13)17/h4-5,11-12,14,20H,3,6-10H2,1-2H3,(H,21,23).
What are the key properties of ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113209618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).