1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone

C14H20F2N2O — CID 167456997

IUPAC1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2=CCCC=C2C(F)F)CC1
InChIInChI=1S/C14H20F2N2O/c1-10(19)18-8-6-11(7-9-18)17-13-5-3-2-4-12(13)14(15)16/h4-5,11,14,17H,2-3,6-9H2,1H3
InChIKeyMCXHPHVKLKLCBH-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.46
Rot. Bonds3

About 1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone

1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone (PubChem CID 167456997) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone
PubChem CID167456997
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2=CCCC=C2C(F)F)CC1
InChIInChI=1S/C14H20F2N2O/c1-10(19)18-8-6-11(7-9-18)17-13-5-3-2-4-12(13)14(15)16/h4-5,11,14,17H,2-3,6-9H2,1H3
InChIKeyMCXHPHVKLKLCBH-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide
CID 70253464
N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide
CID 70254769
N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide
CID 70845371
7-amino-N-trifluoroacetyl tetrahydroisoquinoline
CID 86618781
2,2,2-trifluoro-N-[(6-piperidin-4-yl-1,2-dihydropyridin-4-yl)methyl]acetamide;dihydrochloride
CID 87327320
2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-4-yl)methyl]acetamide;dihydrochloride
CID 87327322
4-(Aminomethyl)-1-methyl-7-(2,2,2-trifluoroethyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 118256036
1-Methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one
CID 123731183
1-[(2Z)-2-[(Z)-2-bromo-4,4,4-trifluorobut-2-enylidene]-5-methyl-3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 134277920
N-[6-methyl-8-(trifluoromethyl)-2,3,4,6,7,8-hexahydro-1H-quinolizin-3-yl]acetamide
CID 143549937
N-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide
CID 145076435
N-[1-[4-amino-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-yl]prop-2-enamide
CID 145278977

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone (CID 167456997) is 1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2=CCCC=C2C(F)F)CC1.
What is the InChIKey of 1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is MCXHPHVKLKLCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-10(19)18-8-6-11(7-9-18)17-13-5-3-2-4-12(13)14(15)16/h4-5,11,14,17H,2-3,6-9H2,1H3.
What are the key properties of 1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 270.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(difluoromethyl)cyclohexa-1,5-dien-1-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 167456997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).