(6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide

C16H23F2N3O — CID 124971585

IUPAC(6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide
SMILESCN1CCN(Cc2ccc(F)c(F)c2)C[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C16H23F2N3O/c1-19(2)16(22)13-10-20(3)6-7-21(11-13)9-12-4-5-14(17)15(18)8-12/h4-5,8,13H,6-7,9-11H2,1-3H3/t13-/m1/s1
InChIKeyJXPVCVFXKREWAF-CYBMUJFWSA-N
MW311.38 g/mol
LogP1.42
Rot. Bonds3

About (6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide

(6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide (PubChem CID 124971585) has the molecular formula C16H23F2N3O and a molecular weight of 311.38 g/mol. Its IUPAC name is (6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide
PubChem CID124971585
Molecular FormulaC16H23F2N3O
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name(6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide
SMILESCN1CCN(Cc2ccc(F)c(F)c2)C[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C16H23F2N3O/c1-19(2)16(22)13-10-20(3)6-7-21(11-13)9-12-4-5-14(17)15(18)8-12/h4-5,8,13H,6-7,9-11H2,1-3H3/t13-/m1/s1
InChIKeyJXPVCVFXKREWAF-CYBMUJFWSA-N
XLogP1.42
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide 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

1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2838224
ethyl (3R)-1-[(3,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763085
(6S)-1-[(2,5-difluorophenyl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 125003893
3-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]propanoic acid
CID 65053964
1-[(3,4-difluorophenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918627
[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165433030
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325
(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118762309
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
(6S)-N,1-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-6-carboxamide
CID 124976732
N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 67217657
(6R)-N,1-dimethyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-6-carboxamide
CID 125012077

Frequently Asked Questions

What is the IUPAC name of (6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide (CID 124971585) is (6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide is CN1CCN(Cc2ccc(F)c(F)c2)C[C@H](C(=O)N(C)C)C1.
What is the InChIKey of (6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide?
The InChIKey is JXPVCVFXKREWAF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23F2N3O/c1-19(2)16(22)13-10-20(3)6-7-21(11-13)9-12-4-5-14(17)15(18)8-12/h4-5,8,13H,6-7,9-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide?
(6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124971585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).