1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide

C13H23F3N4O2 — CID 142065780

IUPAC1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
SMILESNC(=O)CCCCN1CCNCC1C(=O)NCCC(F)(F)F
InChIInChI=1S/C13H23F3N4O2/c14-13(15,16)4-5-19-12(22)10-9-18-6-8-20(10)7-2-1-3-11(17)21/h10,18H,1-9H2,(H2,17,21)(H,19,22)
InChIKeyQREYJWLELIGXIK-UHFFFAOYSA-N
MW324.35 g/mol
LogP-0.02
Rot. Bonds8

About 1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide

1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide (PubChem CID 142065780) has the molecular formula C13H23F3N4O2 and a molecular weight of 324.35 g/mol. Its IUPAC name is 1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
PubChem CID142065780
Molecular FormulaC13H23F3N4O2
Molecular Weight324.35 g/mol
Exact Mass324.18
IUPAC Name1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
SMILESNC(=O)CCCCN1CCNCC1C(=O)NCCC(F)(F)F
InChIInChI=1S/C13H23F3N4O2/c14-13(15,16)4-5-19-12(22)10-9-18-6-8-20(10)7-2-1-3-11(17)21/h10,18H,1-9H2,(H2,17,21)(H,19,22)
InChIKeyQREYJWLELIGXIK-UHFFFAOYSA-N
XLogP-0.02
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 5-0.02
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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Related Compounds

(R)-4-((S)-3-amino-4-(2-oxopiperidin-1-yl)butanoyl)-3-methyl-1,4-diazepan-2-one
CID 44561191
(R)-4-((S)-3-amino-4-(2-oxopiperidin-1-yl)butanoyl)-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one
CID 44561193
(2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide
CID 57341087
(2S)-1-[2-[[(3S)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide
CID 57341815
3-Amino-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 64238355
N-[(3R)-1-(2-amino-2-oxoethyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide
CID 44322222
1-Methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one
CID 45100045
2-[1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]acetamide
CID 53522452
3-(Piperazin-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75450947
(3S)-1-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96086222
N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 128159632
2-[3-(4,4-difluoropiperidin-1-yl)propyl-methylamino]-N-propan-2-ylacetamide
CID 132390947

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?
The IUPAC name of 1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide (CID 142065780) is 1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide is NC(=O)CCCCN1CCNCC1C(=O)NCCC(F)(F)F.
What is the InChIKey of 1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?
The InChIKey is QREYJWLELIGXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4O2/c14-13(15,16)4-5-19-12(22)10-9-18-6-8-20(10)7-2-1-3-11(17)21/h10,18H,1-9H2,(H2,17,21)(H,19,22).
What are the key properties of 1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?
1-(5-amino-5-oxopentyl)-N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide has a molecular weight of 324.35 g/mol, XLogP of -0.02, 8 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-(3,3,3-trifluoropropyl)piperazine-2-carboxamide is sourced from PubChem (CID 142065780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).