1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

C12H21F3N4O2 — CID 142065811

IUPAC1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESNC(=O)CCCCN1CCNCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N4O2/c13-12(14,15)8-18-11(21)9-7-17-4-6-19(9)5-2-1-3-10(16)20/h9,17H,1-8H2,(H2,16,20)(H,18,21)
InChIKeyTUSYUAJNXRDQFF-UHFFFAOYSA-N
MW310.32 g/mol
LogP-0.41
Rot. Bonds7

About 1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 142065811) has the molecular formula C12H21F3N4O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
PubChem CID142065811
Molecular FormulaC12H21F3N4O2
Molecular Weight310.32 g/mol
Exact Mass310.16
IUPAC Name1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESNC(=O)CCCCN1CCNCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N4O2/c13-12(14,15)8-18-11(21)9-7-17-4-6-19(9)5-2-1-3-10(16)20/h9,17H,1-8H2,(H2,16,20)(H,18,21)
InChIKeyTUSYUAJNXRDQFF-UHFFFAOYSA-N
XLogP-0.41
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The IUPAC name of 1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 142065811) is 1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is NC(=O)CCCCN1CCNCC1C(=O)NCC(F)(F)F.
What is the InChIKey of 1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The InChIKey is TUSYUAJNXRDQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O2/c13-12(14,15)8-18-11(21)9-7-17-4-6-19(9)5-2-1-3-10(16)20/h9,17H,1-8H2,(H2,16,20)(H,18,21).
What are the key properties of 1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 310.32 g/mol, XLogP of -0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-5-oxopentyl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 142065811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).