N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide

C12H21F3N4O2 — CID 63252834

IUPACN-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N4O2/c13-12(14,15)8-18-10(20)7-19-5-1-2-9(6-19)11(21)17-4-3-16/h9H,1-8,16H2,(H,17,21)(H,18,20)
InChIKeyHKRXKSMPBQHHQG-UHFFFAOYSA-N
MW310.32 g/mol
LogP-0.55
Rot. Bonds6

About N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide (PubChem CID 63252834) has the molecular formula C12H21F3N4O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide
PubChem CID63252834
Molecular FormulaC12H21F3N4O2
Molecular Weight310.32 g/mol
Exact Mass310.16
IUPAC NameN-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N4O2/c13-12(14,15)8-18-10(20)7-19-5-1-2-9(6-19)11(21)17-4-3-16/h9H,1-8,16H2,(H,17,21)(H,18,20)
InChIKeyHKRXKSMPBQHHQG-UHFFFAOYSA-N
XLogP-0.55
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-[2-(cyclopentylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63252704
N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide
CID 63253099
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63252709
tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate
CID 63253049
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916688
N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119917165
N-(2-aminoethyl)-1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxamide
CID 114496435
N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 63253004
N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride
CID 119916925
2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492407
N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide
CID 63891883

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide (CID 63252834) is N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(CC(=O)NCC(F)(F)F)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is HKRXKSMPBQHHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O2/c13-12(14,15)8-18-10(20)7-19-5-1-2-9(6-19)11(21)17-4-3-16/h9H,1-8,16H2,(H,17,21)(H,18,20).
What are the key properties of N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 310.32 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 63252834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).