ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate

C20H28N2O3 — CID 644893

IUPACethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC(=O)Nc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C20H28N2O3/c1-2-25-20(24)17-7-4-11-22(14-17)12-10-19(23)21-18-9-8-15-5-3-6-16(15)13-18/h8-9,13,17H,2-7,10-12,14H2,1H3,(H,21,23)
InChIKeyDIPYKFHAIZSMGP-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.78
Rot. Bonds6

About ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate

ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate (PubChem CID 644893) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate
PubChem CID644893
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Nameethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC(=O)Nc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C20H28N2O3/c1-2-25-20(24)17-7-4-11-22(14-17)12-10-19(23)21-18-9-8-15-5-3-6-16(15)13-18/h8-9,13,17H,2-7,10-12,14H2,1H3,(H,21,23)
InChIKeyDIPYKFHAIZSMGP-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate (CID 644893) is ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCC(=O)Nc2ccc3c(c2)CCC3)C1.
What is the InChIKey of ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate?
The InChIKey is DIPYKFHAIZSMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-25-20(24)17-7-4-11-22(14-17)12-10-19(23)21-18-9-8-15-5-3-6-16(15)13-18/h8-9,13,17H,2-7,10-12,14H2,1H3,(H,21,23).
What are the key properties of ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate?
ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate has a molecular weight of 344.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-3-carboxylate is sourced from PubChem (CID 644893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).