4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide

C16H21F3N4O2 — CID 126804910

IUPAC4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H21F3N4O2/c1-22(11-16(17,18)19)14(24)20-13-7-9-23(10-8-13)15(25)21-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,20,24)(H,21,25)
InChIKeyJXKVINIXCQONHC-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.89
Rot. Bonds3

About 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide

4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 126804910) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID126804910
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC Name4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H21F3N4O2/c1-22(11-16(17,18)19)14(24)20-13-7-9-23(10-8-13)15(25)21-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,20,24)(H,21,25)
InChIKeyJXKVINIXCQONHC-UHFFFAOYSA-N
XLogP2.89
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 154884603
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338
4-N-methyl-1-N-phenyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 134047330
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119276932
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 119700255
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide
CID 71982071
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
4-[(2-naphthalen-2-ylacetyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324367
4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide
CID 119700221

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide (CID 126804910) is 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide is CN(CC(F)(F)F)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is JXKVINIXCQONHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c1-22(11-16(17,18)19)14(24)20-13-7-9-23(10-8-13)15(25)21-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 126804910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).