N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide

C13H24N4O2 — CID 79389325

IUPACN-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C2CCNC2C)CC1
InChIInChI=1S/C13H24N4O2/c1-3-14-13(19)17-8-6-16(7-9-17)12(18)11-4-5-15-10(11)2/h10-11,15H,3-9H2,1-2H3,(H,14,19)
InChIKeyUJLIZCRQTBTQPY-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.14
Rot. Bonds2

About N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide

N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide (PubChem CID 79389325) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
PubChem CID79389325
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C2CCNC2C)CC1
InChIInChI=1S/C13H24N4O2/c1-3-14-13(19)17-8-6-16(7-9-17)12(18)11-4-5-15-10(11)2/h10-11,15H,3-9H2,1-2H3,(H,14,19)
InChIKeyUJLIZCRQTBTQPY-UHFFFAOYSA-N
XLogP-0.14
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide (CID 79389325) is N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)C2CCNC2C)CC1.
What is the InChIKey of N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide?
The InChIKey is UJLIZCRQTBTQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-14-13(19)17-8-6-16(7-9-17)12(18)11-4-5-15-10(11)2/h10-11,15H,3-9H2,1-2H3,(H,14,19).
What are the key properties of N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide?
N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide has a molecular weight of 268.36 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 79389325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).