N-butyl-4-propylpiperazine-1-carboxamide

C12H25N3O — CID 6466800

IUPACN-butyl-4-propylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(CCC)CC1
InChIInChI=1S/C12H25N3O/c1-3-5-6-13-12(16)15-10-8-14(7-4-2)9-11-15/h3-11H2,1-2H3,(H,13,16)
InChIKeyORSNYNCVDQOHHR-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.52
Rot. Bonds5

About N-butyl-4-propylpiperazine-1-carboxamide

N-butyl-4-propylpiperazine-1-carboxamide (PubChem CID 6466800) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-butyl-4-propylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-propylpiperazine-1-carboxamide
PubChem CID6466800
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-butyl-4-propylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(CCC)CC1
InChIInChI=1S/C12H25N3O/c1-3-5-6-13-12(16)15-10-8-14(7-4-2)9-11-15/h3-11H2,1-2H3,(H,13,16)
InChIKeyORSNYNCVDQOHHR-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-propylpiperazine-1-carboxamide?
The IUPAC name of N-butyl-4-propylpiperazine-1-carboxamide (CID 6466800) is N-butyl-4-propylpiperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-propylpiperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-propylpiperazine-1-carboxamide is CCCCNC(=O)N1CCN(CCC)CC1.
What is the InChIKey of N-butyl-4-propylpiperazine-1-carboxamide?
The InChIKey is ORSNYNCVDQOHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-5-6-13-12(16)15-10-8-14(7-4-2)9-11-15/h3-11H2,1-2H3,(H,13,16).
What are the key properties of N-butyl-4-propylpiperazine-1-carboxamide?
N-butyl-4-propylpiperazine-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-propylpiperazine-1-carboxamide is sourced from PubChem (CID 6466800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).