(2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one

C14H25F3N4O — CID 91228977

IUPAC(2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one
SMILESCN1CCC(N2CCN(C(=O)[C@H](N)CC(F)(F)F)CC2)CC1
InChIInChI=1S/C14H25F3N4O/c1-19-4-2-11(3-5-19)20-6-8-21(9-7-20)13(22)12(18)10-14(15,16)17/h11-12H,2-10,18H2,1H3/t12-/m1/s1
InChIKeyCDWDCMNVYCVWID-GFCCVEGCSA-N
MW322.38 g/mol
LogP0.50
Rot. Bonds3

About (2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one

(2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one (PubChem CID 91228977) has the molecular formula C14H25F3N4O and a molecular weight of 322.38 g/mol. Its IUPAC name is (2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one
PubChem CID91228977
Molecular FormulaC14H25F3N4O
Molecular Weight322.38 g/mol
Exact Mass322.20
IUPAC Name(2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one
SMILESCN1CCC(N2CCN(C(=O)[C@H](N)CC(F)(F)F)CC2)CC1
InChIInChI=1S/C14H25F3N4O/c1-19-4-2-11(3-5-19)20-6-8-21(9-7-20)13(22)12(18)10-14(15,16)17/h11-12H,2-10,18H2,1H3/t12-/m1/s1
InChIKeyCDWDCMNVYCVWID-GFCCVEGCSA-N
XLogP0.50
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one with MolForge

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Related Compounds

2-(S)-Amino-1-piperidin-1-yl-4-(piperidin-4-ylamino)-butan-1-one
CID 9970277
(S)-4-Amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)-butan-1-one
CID 10468265
1-[(3R)-3-Aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 102978512
2-[4-(Methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 50989053
1-[(3R)-3-aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one hydrochloride
CID 119031276
4-(4-Aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789941
N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide
CID 134790481
{(1S)-1-[(1,9-dimethyl-1,4,9-triazaspiro[5.5]undec-4-yl)carbonyl]propyl}amine dihydrochloride
CID 56742517
1-[1-(2-Aminopentanoyl)piperidin-4-yl]piperidin-2-one
CID 75449400
3-(Piperazin-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75450947
2-[3-(4,4-difluoropiperidin-1-yl)propyl-methylamino]-N-propan-2-ylacetamide
CID 132390947
2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide
CID 21059953

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of (2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one (CID 91228977) is (2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one is CN1CCC(N2CCN(C(=O)[C@H](N)CC(F)(F)F)CC2)CC1.
What is the InChIKey of (2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one?
The InChIKey is CDWDCMNVYCVWID-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25F3N4O/c1-19-4-2-11(3-5-19)20-6-8-21(9-7-20)13(22)12(18)10-14(15,16)17/h11-12H,2-10,18H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one?
(2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one has a molecular weight of 322.38 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 91228977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).