N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide

C17H22F3N3O2 — CID 119886059

IUPACN-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide
SMILESO=C(NC1CCN(c2cccc(OC(F)(F)F)c2)C1)C1CCCNC1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)25-15-5-1-4-14(9-15)23-8-6-13(11-23)22-16(24)12-3-2-7-21-10-12/h1,4-5,9,12-13,21H,2-3,6-8,10-11H2,(H,22,24)
InChIKeySCSJVYWKBNKKTA-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.28
Rot. Bonds4

About N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide

N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide (PubChem CID 119886059) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide
PubChem CID119886059
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC NameN-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide
SMILESO=C(NC1CCN(c2cccc(OC(F)(F)F)c2)C1)C1CCCNC1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)25-15-5-1-4-14(9-15)23-8-6-13(11-23)22-16(24)12-3-2-7-21-10-12/h1,4-5,9,12-13,21H,2-3,6-8,10-11H2,(H,22,24)
InChIKeySCSJVYWKBNKKTA-UHFFFAOYSA-N
XLogP2.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorophenyl)pyrrolidin-3-yl]piperidine-3-carboxamide;dihydrochloride
CID 119899482
1-(2-fluoroethyl)-3-[(3S)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea
CID 125140707
N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 96547281
3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide
CID 120613181
2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 139001144
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 58973484
N-[(3S)-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 95627572
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 81133538
(2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636997
piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone
CID 177314079
1-[2-(dimethylamino)-2-oxoethyl]-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]triazole-4-carboxamide
CID 139001146

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide (CID 119886059) is N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide is O=C(NC1CCN(c2cccc(OC(F)(F)F)c2)C1)C1CCCNC1.
What is the InChIKey of N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide?
The InChIKey is SCSJVYWKBNKKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c18-17(19,20)25-15-5-1-4-14(9-15)23-8-6-13(11-23)22-16(24)12-3-2-7-21-10-12/h1,4-5,9,12-13,21H,2-3,6-8,10-11H2,(H,22,24).
What are the key properties of N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide?
N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 119886059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).