ethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate

C16H28N2O3 — CID 62210746

IUPACethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CCC1CCCCN1
InChIInChI=1S/C16H28N2O3/c1-2-21-16(20)14-8-4-6-12-18(14)15(19)10-9-13-7-3-5-11-17-13/h13-14,17H,2-12H2,1H3
InChIKeyKYGDHMRNAANOPT-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.85
Rot. Bonds5

About ethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate

ethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate (PubChem CID 62210746) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate
PubChem CID62210746
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nameethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CCC1CCCCN1
InChIInChI=1S/C16H28N2O3/c1-2-21-16(20)14-8-4-6-12-18(14)15(19)10-9-13-7-3-5-11-17-13/h13-14,17H,2-12H2,1H3
InChIKeyKYGDHMRNAANOPT-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
N-cyclopropyl-1-(3-piperidin-2-ylpropanoyl)pyrrolidine-2-carboxamide
CID 62212477
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
ethyl 1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylate
CID 62676158
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl 1-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-2-carboxylate
CID 55432116
ethyl 1-(3-ethoxypropanoyl)pyrrolidine-2-carboxylate
CID 62591032
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112
ethyl 3-(2-piperidin-2-ylethylsulfanyl)propanoate
CID 134086079
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183
2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61265168

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate (CID 62210746) is ethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)CCC1CCCCN1.
What is the InChIKey of ethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate?
The InChIKey is KYGDHMRNAANOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-21-16(20)14-8-4-6-12-18(14)15(19)10-9-13-7-3-5-11-17-13/h13-14,17H,2-12H2,1H3.
What are the key properties of ethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate?
ethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 62210746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).