1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide

C15H18F3N3O2 — CID 154385489

IUPAC1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide
SMILESNC(=O)C1(NC(=O)C(F)(F)F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)13(23)20-14(12(19)22)6-8-21(9-7-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,19,22)(H,20,23)
InChIKeyWUKXCDAKQKZAOQ-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.18
Rot. Bonds4

About 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide

1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide (PubChem CID 154385489) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide
PubChem CID154385489
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide
SMILESNC(=O)C1(NC(=O)C(F)(F)F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)13(23)20-14(12(19)22)6-8-21(9-7-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,19,22)(H,20,23)
InChIKeyWUKXCDAKQKZAOQ-UHFFFAOYSA-N
XLogP1.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride
CID 71758384
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
1-benzyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxamide
CID 60999133
1-benzyl-4-(2-methylpropylamino)piperidine-4-carboxamide
CID 60995368
N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 130485423
1-benzyl-4-ethenylpiperidine-4-carboxamide
CID 23109456
2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid
CID 62399064
1-benzyl-3-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 159201320
ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
CID 3044661
4-amino-1-benzylpiperidine-4-carbohydrazide
CID 21495768
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide (CID 154385489) is 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide is NC(=O)C1(NC(=O)C(F)(F)F)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide?
The InChIKey is WUKXCDAKQKZAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-15(17,18)13(23)20-14(12(19)22)6-8-21(9-7-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,19,22)(H,20,23).
What are the key properties of 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide?
1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide has a molecular weight of 329.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 154385489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).