2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C18H24F3N3O3 — CID 74244699

IUPAC2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C18H24F3N3O3/c19-18(20,21)27-16-6-4-14(5-7-16)22-17(25)24-8-2-1-3-15(24)13-23-9-11-26-12-10-23/h4-7,15H,1-3,8-13H2,(H,22,25)
InChIKeyNBQPJFRUGVZSPZ-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.30
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 74244699) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID74244699
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC Name2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C18H24F3N3O3/c19-18(20,21)27-16-6-4-14(5-7-16)22-17(25)24-8-2-1-3-15(24)13-23-9-11-26-12-10-23/h4-7,15H,1-3,8-13H2,(H,22,25)
InChIKeyNBQPJFRUGVZSPZ-UHFFFAOYSA-N
XLogP3.30
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 97010864
(2R)-N-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94821286
(2R)-N-(3-chloro-5-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 97057326
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 118775432
2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134086224
2-(morpholin-4-ylmethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 56795491
(2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95715007
(2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 97273868
(2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 97453908
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25015279
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8804725

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 74244699) is 2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCCC1CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is NBQPJFRUGVZSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c19-18(20,21)27-16-6-4-14(5-7-16)22-17(25)24-8-2-1-3-15(24)13-23-9-11-26-12-10-23/h4-7,15H,1-3,8-13H2,(H,22,25).
What are the key properties of 2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 74244699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).