N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide

C15H27N3O2 — CID 83071816

IUPACN-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)C2(CC)CCCN2)CC1
InChIInChI=1S/C15H27N3O2/c1-3-15(8-5-9-17-15)14(20)18-10-6-12(7-11-18)13(19)16-4-2/h12,17H,3-11H2,1-2H3,(H,16,19)
InChIKeySCLKQXODUQOUGD-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds4

About N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide

N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide (PubChem CID 83071816) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide
PubChem CID83071816
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)C2(CC)CCCN2)CC1
InChIInChI=1S/C15H27N3O2/c1-3-15(8-5-9-17-15)14(20)18-10-6-12(7-11-18)13(19)16-4-2/h12,17H,3-11H2,1-2H3,(H,16,19)
InChIKeySCLKQXODUQOUGD-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide (CID 83071816) is N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide is CCNC(=O)C1CCN(C(=O)C2(CC)CCCN2)CC1.
What is the InChIKey of N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is SCLKQXODUQOUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-15(8-5-9-17-15)14(20)18-10-6-12(7-11-18)13(19)16-4-2/h12,17H,3-11H2,1-2H3,(H,16,19).
What are the key properties of N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide?
N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylpyrrolidine-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 83071816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).