N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide

C16H31N3O — CID 61020918

IUPACN-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESCCN(CC(C)C)C(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C16H31N3O/c1-4-18(12-13(2)3)16(20)15-6-5-11-19(15)14-7-9-17-10-8-14/h13-15,17H,4-12H2,1-3H3
InChIKeyLXHLPMQWNVNENC-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds5

About N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide

N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 61020918) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
PubChem CID61020918
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESCCN(CC(C)C)C(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C16H31N3O/c1-4-18(12-13(2)3)16(20)15-6-5-11-19(15)14-7-9-17-10-8-14/h13-15,17H,4-12H2,1-3H3
InChIKeyLXHLPMQWNVNENC-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide (CID 61020918) is N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide is CCN(CC(C)C)C(=O)C1CCCN1C1CCNCC1.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is LXHLPMQWNVNENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-18(12-13(2)3)16(20)15-6-5-11-19(15)14-7-9-17-10-8-14/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61020918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).