2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide

C17H31N3O — CID 84584162

IUPAC2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCCN1CCC(NC(=O)N2CCCC2C2CCC2)CC1C
InChIInChI=1S/C17H31N3O/c1-3-19-11-9-15(12-13(19)2)18-17(21)20-10-5-8-16(20)14-6-4-7-14/h13-16H,3-12H2,1-2H3,(H,18,21)
InChIKeyYKLWOBFFFWQBEX-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.83
Rot. Bonds3

About 2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide

2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 84584162) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
PubChem CID84584162
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCCN1CCC(NC(=O)N2CCCC2C2CCC2)CC1C
InChIInChI=1S/C17H31N3O/c1-3-19-11-9-15(12-13(19)2)18-17(21)20-10-5-8-16(20)14-6-4-7-14/h13-16H,3-12H2,1-2H3,(H,18,21)
InChIKeyYKLWOBFFFWQBEX-UHFFFAOYSA-N
XLogP2.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide (CID 84584162) is 2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide is CCN1CCC(NC(=O)N2CCCC2C2CCC2)CC1C.
What is the InChIKey of 2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is YKLWOBFFFWQBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-3-19-11-9-15(12-13(19)2)18-17(21)20-10-5-8-16(20)14-6-4-7-14/h13-16H,3-12H2,1-2H3,(H,18,21).
What are the key properties of 2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 84584162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).