N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C19H22F3N3O3 — CID 112506999

IUPACN-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC2)c1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C19H22F3N3O3/c20-19(21,22)18(28)25-10-6-13(7-11-25)16(26)23-15-5-3-4-14(12-15)17(27)24-8-1-2-9-24/h3-5,12-13H,1-2,6-11H2,(H,23,26)
InChIKeyFXLPPJJEIVEZNX-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.66
Rot. Bonds3

About N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 112506999) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID112506999
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC NameN-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC2)c1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C19H22F3N3O3/c20-19(21,22)18(28)25-10-6-13(7-11-25)16(26)23-15-5-3-4-14(12-15)17(27)24-8-1-2-9-24/h3-5,12-13H,1-2,6-11H2,(H,23,26)
InChIKeyFXLPPJJEIVEZNX-UHFFFAOYSA-N
XLogP2.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-(2,2,2-trifluoroacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 110344139
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119740159
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
1-[3-(cyclopropanecarbonylamino)benzoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 31589377

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 112506999) is N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(Nc1cccc(C(=O)N2CCCC2)c1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is FXLPPJJEIVEZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c20-19(21,22)18(28)25-10-6-13(7-11-25)16(26)23-15-5-3-4-14(12-15)17(27)24-8-1-2-9-24/h3-5,12-13H,1-2,6-11H2,(H,23,26).
What are the key properties of N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 397.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 112506999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).