N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide

C14H17ClF3N3O — CID 88926400

IUPACN-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide
SMILESNCC1CCN(c2ccc(Cl)cc2NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H17ClF3N3O/c15-10-1-2-12(21-5-3-9(8-19)4-6-21)11(7-10)20-13(22)14(16,17)18/h1-2,7,9H,3-6,8,19H2,(H,20,22)
InChIKeyDVIYDUNHRUQFJW-UHFFFAOYSA-N
MW335.76 g/mol
LogP3.02
Rot. Bonds3

About N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide

N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide (PubChem CID 88926400) has the molecular formula C14H17ClF3N3O and a molecular weight of 335.76 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide
PubChem CID88926400
Molecular FormulaC14H17ClF3N3O
Molecular Weight335.76 g/mol
Exact Mass335.10
IUPAC NameN-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide
SMILESNCC1CCN(c2ccc(Cl)cc2NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H17ClF3N3O/c15-10-1-2-12(21-5-3-9(8-19)4-6-21)11(7-10)20-13(22)14(16,17)18/h1-2,7,9H,3-6,8,19H2,(H,20,22)
InChIKeyDVIYDUNHRUQFJW-UHFFFAOYSA-N
XLogP3.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide 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-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide
CID 68551320
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide
CID 119829370
1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]urea
CID 97311875
N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 87693092
2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine
CID 82298380
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55669090
2-[1-(2-amino-4-chlorophenyl)piperidin-4-yl]acetamide
CID 54989164
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
CID 17066065
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzoic acid
CID 79511933
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(methylsulfonylmethyl)pyrrolidine-1-carboxamide
CID 167840474
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534808

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide (CID 88926400) is N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide is NCC1CCN(c2ccc(Cl)cc2NC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide?
The InChIKey is DVIYDUNHRUQFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N3O/c15-10-1-2-12(21-5-3-9(8-19)4-6-21)11(7-10)20-13(22)14(16,17)18/h1-2,7,9H,3-6,8,19H2,(H,20,22).
What are the key properties of N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide?
N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide has a molecular weight of 335.76 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 88926400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).