ethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate

C18H30N2O4 — CID 42702596

IUPACethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate
SMILESCCCCC(=O)N1CCCC1C(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C18H30N2O4/c1-3-5-8-16(21)20-11-6-7-15(20)17(22)19-12-9-14(10-13-19)18(23)24-4-2/h14-15H,3-13H2,1-2H3
InChIKeyPPWRJUVRIPFWSW-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.97
Rot. Bonds6

About ethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate (PubChem CID 42702596) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is ethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate
PubChem CID42702596
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Nameethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate
SMILESCCCCC(=O)N1CCCC1C(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C18H30N2O4/c1-3-5-8-16(21)20-11-6-7-15(20)17(22)19-12-9-14(10-13-19)18(23)24-4-2/h14-15H,3-13H2,1-2H3
InChIKeyPPWRJUVRIPFWSW-UHFFFAOYSA-N
XLogP1.97
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate (CID 42702596) is ethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate is CCCCC(=O)N1CCCC1C(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is PPWRJUVRIPFWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-3-5-8-16(21)20-11-6-7-15(20)17(22)19-12-9-14(10-13-19)18(23)24-4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of ethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 338.45 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 42702596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).