N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide

C18H21F3N2O3 — CID 46419124

IUPACN-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC(C(F)(F)F)C2)c1)C1CCCO1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)13-5-2-8-23(11-13)17(25)12-4-1-6-14(10-12)22-16(24)15-7-3-9-26-15/h1,4,6,10,13,15H,2-3,5,7-9,11H2,(H,22,24)
InChIKeyMWJFOEADFQOFPS-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.22
Rot. Bonds3

About N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide

N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide (PubChem CID 46419124) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
PubChem CID46419124
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC NameN-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC(C(F)(F)F)C2)c1)C1CCCO1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)13-5-2-8-23(11-13)17(25)12-4-1-6-14(10-12)22-16(24)15-7-3-9-26-15/h1,4,6,10,13,15H,2-3,5,7-9,11H2,(H,22,24)
InChIKeyMWJFOEADFQOFPS-UHFFFAOYSA-N
XLogP3.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 52514050
(2S)-N-[3-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 124814920
N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 119403639
(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 32678870
N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide
CID 55948150
(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 95775139
N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 45179359
(2R)-N-[3-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 94637367
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide (CID 46419124) is N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCCC(C(F)(F)F)C2)c1)C1CCCO1.
What is the InChIKey of N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The InChIKey is MWJFOEADFQOFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c19-18(20,21)13-5-2-8-23(11-13)17(25)12-4-1-6-14(10-12)22-16(24)15-7-3-9-26-15/h1,4,6,10,13,15H,2-3,5,7-9,11H2,(H,22,24).
What are the key properties of N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide?
N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 46419124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).