N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide

C11H23N3O2 — CID 6457939

IUPACN-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H23N3O2/c1-2-3-4-12-11(16)14-7-5-13(6-8-14)9-10-15/h15H,2-10H2,1H3,(H,12,16)
InChIKeyFWCSNZXDVJJGJU-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.11
Rot. Bonds5

About N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide

N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 6457939) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID6457939
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H23N3O2/c1-2-3-4-12-11(16)14-7-5-13(6-8-14)9-10-15/h15H,2-10H2,1H3,(H,12,16)
InChIKeyFWCSNZXDVJJGJU-UHFFFAOYSA-N
XLogP0.11
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide (CID 6457939) is N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide is CCCCNC(=O)N1CCN(CCO)CC1.
What is the InChIKey of N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is FWCSNZXDVJJGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-3-4-12-11(16)14-7-5-13(6-8-14)9-10-15/h15H,2-10H2,1H3,(H,12,16).
What are the key properties of N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide?
N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 6457939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).