2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide

C25H28F3N3O2 — CID 171903661

IUPAC2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(C2CCNCC2)cc1)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C25H28F3N3O2/c26-25(27,28)21-11-10-20(23(32)30-21)24(33)31-22(18-4-2-1-3-5-18)19-8-6-16(7-9-19)17-12-14-29-15-13-17/h1-9,17,20-22,29H,10-15H2,(H,30,32)(H,31,33)
InChIKeyXWLZWHJJZNHHFQ-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.82
Rot. Bonds5

About 2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide

2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171903661) has the molecular formula C25H28F3N3O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171903661
Molecular FormulaC25H28F3N3O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC Name2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(C2CCNCC2)cc1)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C25H28F3N3O2/c26-25(27,28)21-11-10-20(23(32)30-21)24(33)31-22(18-4-2-1-3-5-18)19-8-6-16(7-9-19)17-12-14-29-15-13-17/h1-9,17,20-22,29H,10-15H2,(H,30,32)(H,31,33)
InChIKeyXWLZWHJJZNHHFQ-UHFFFAOYSA-N
XLogP3.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-[phenyl-[4-(2,2,2-trifluoroethyl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903772
2-oxo-N-[phenyl-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903659
2-oxo-N-[phenyl-(4-pyrimidin-2-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903674
N-[[3-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903967
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid
CID 119350377
N-[2-(azetidin-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903885
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 112829490
N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119689120
N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904083
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 120944954
N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904031

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of 2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171903661) is 2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc(C2CCNCC2)cc1)C1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of 2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is XWLZWHJJZNHHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O2/c26-25(27,28)21-11-10-20(23(32)30-21)24(33)31-22(18-4-2-1-3-5-18)19-8-6-16(7-9-19)17-12-14-29-15-13-17/h1-9,17,20-22,29H,10-15H2,(H,30,32)(H,31,33).
What are the key properties of 2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide?
2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[phenyl-(4-piperidin-4-ylphenyl)methyl]-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171903661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).