3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

C25H30F3N3O — CID 146147993

IUPAC3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESO=C1C(N2CCC(NCc3ccccc3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H30F3N3O/c26-25(27,28)21-9-4-8-20(16-21)18-31-13-5-10-23(24(31)32)30-14-11-22(12-15-30)29-17-19-6-2-1-3-7-19/h1-4,6-9,16,22-23,29H,5,10-15,17-18H2
InChIKeyIVDUJAICDZPVFX-UHFFFAOYSA-N
MW445.53 g/mol
LogP4.45
Rot. Bonds6

About 3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (PubChem CID 146147993) has the molecular formula C25H30F3N3O and a molecular weight of 445.53 g/mol. Its IUPAC name is 3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
PubChem CID146147993
Molecular FormulaC25H30F3N3O
Molecular Weight445.53 g/mol
Exact Mass445.23
IUPAC Name3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESO=C1C(N2CCC(NCc3ccccc3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H30F3N3O/c26-25(27,28)21-9-4-8-20(16-21)18-31-13-5-10-23(24(31)32)30-14-11-22(12-15-30)29-17-19-6-2-1-3-7-19/h1-4,6-9,16,22-23,29H,5,10-15,17-18H2
InChIKeyIVDUJAICDZPVFX-UHFFFAOYSA-N
XLogP4.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 167874854
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CID 166520360
3-[[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]carbamoylamino]propanoic acid
CID 122009220
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002
2-bromo-2,2-difluoro-N-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]azepan-3-yl]acetamide
CID 56643370
(3S)-3-[(2S)-1-hydroxypropan-2-yl]sulfanyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 97336760
1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one
CID 71687072
1-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-2-one
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2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
N-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]azepan-3-yl]benzo[b][1]benzazepine-11-carboxamide
CID 56643368
(3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 95990939
2-[[3-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (CID 146147993) is 3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is O=C1C(N2CCC(NCc3ccccc3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The InChIKey is IVDUJAICDZPVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O/c26-25(27,28)21-9-4-8-20(16-21)18-31-13-5-10-23(24(31)32)30-14-11-22(12-15-30)29-17-19-6-2-1-3-7-19/h1-4,6-9,16,22-23,29H,5,10-15,17-18H2.
What are the key properties of 3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one has a molecular weight of 445.53 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylamino)piperidin-1-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 146147993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).