ethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate

C19H23NO3 — CID 19826983

IUPACethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CC1=Cc2ccccc2C1
InChIInChI=1S/C19H23NO3/c1-2-23-19(22)17-9-5-6-10-20(17)18(21)13-14-11-15-7-3-4-8-16(15)12-14/h3-4,7-8,11,17H,2,5-6,9-10,12-13H2,1H3
InChIKeyUMSMYLNMLHBBTQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.96
Rot. Bonds4

About ethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate

ethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate (PubChem CID 19826983) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate
PubChem CID19826983
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nameethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CC1=Cc2ccccc2C1
InChIInChI=1S/C19H23NO3/c1-2-23-19(22)17-9-5-6-10-20(17)18(21)13-14-11-15-7-3-4-8-16(15)12-14/h3-4,7-8,11,17H,2,5-6,9-10,12-13H2,1H3
InChIKeyUMSMYLNMLHBBTQ-UHFFFAOYSA-N
XLogP2.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate (CID 19826983) is ethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)CC1=Cc2ccccc2C1.
What is the InChIKey of ethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate?
The InChIKey is UMSMYLNMLHBBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-23-19(22)17-9-5-6-10-20(17)18(21)13-14-11-15-7-3-4-8-16(15)12-14/h3-4,7-8,11,17H,2,5-6,9-10,12-13H2,1H3.
What are the key properties of ethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate?
ethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(1H-inden-2-yl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 19826983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).