ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate

C16H28N2O3 — CID 63138698

IUPACethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate
SMILESCCCC1(C(=O)N2CCC(C(=O)OCC)CC2)CCNC1
InChIInChI=1S/C16H28N2O3/c1-3-7-16(8-9-17-12-16)15(20)18-10-5-13(6-11-18)14(19)21-4-2/h13,17H,3-12H2,1-2H3
InChIKeyJHGGJUGHXLYQPI-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.57
Rot. Bonds5

About ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate

ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate (PubChem CID 63138698) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate
PubChem CID63138698
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nameethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate
SMILESCCCC1(C(=O)N2CCC(C(=O)OCC)CC2)CCNC1
InChIInChI=1S/C16H28N2O3/c1-3-7-16(8-9-17-12-16)15(20)18-10-5-13(6-11-18)14(19)21-4-2/h13,17H,3-12H2,1-2H3
InChIKeyJHGGJUGHXLYQPI-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 63141064
(3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 103532913
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
(4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63626147
ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate
CID 113312720
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63138858
(4-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132180
1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
CID 79308921
1-(3-propylpyrrolidine-3-carbonyl)piperidine-2-carboxamide
CID 63140050
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 79170392
ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate
CID 63132317
N-methyl-1-(3-propylpyrrolidine-3-carbonyl)piperidine-3-carboxamide
CID 103195229

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate (CID 63138698) is ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate is CCCC1(C(=O)N2CCC(C(=O)OCC)CC2)CCNC1.
What is the InChIKey of ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is JHGGJUGHXLYQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-7-16(8-9-17-12-16)15(20)18-10-5-13(6-11-18)14(19)21-4-2/h13,17H,3-12H2,1-2H3.
What are the key properties of ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate?
ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 63138698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).