N-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C18H23F3N2O2 — CID 175967617

IUPACN-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(N1CCCCC1)N(CC1CCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)25-16-9-7-15(8-10-16)23(13-14-5-4-6-14)17(24)22-11-2-1-3-12-22/h7-10,14H,1-6,11-13H2
InChIKeyDVYHNRKCZVMXDG-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.80
Rot. Bonds4

About N-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

N-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 175967617) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID175967617
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC NameN-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(N1CCCCC1)N(CC1CCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)25-16-9-7-15(8-10-16)23(13-14-5-4-6-14)17(24)22-11-2-1-3-12-22/h7-10,14H,1-6,11-13H2
InChIKeyDVYHNRKCZVMXDG-UHFFFAOYSA-N
XLogP4.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 134016562
(3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
CID 52539875
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone;hydrochloride
CID 119381637
N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 123473878
8-(2-cyclobutylacetyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59577965
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
[4-[4-(trifluoromethoxy)phenyl]phenyl] pyrrolidine-1-carboxylate
CID 141055177
N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 27658627
N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)aniline
CID 59726238
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone
CID 114962182
1-[3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55910800

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 175967617) is N-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is O=C(N1CCCCC1)N(CC1CCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is DVYHNRKCZVMXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c19-18(20,21)25-16-9-7-15(8-10-16)23(13-14-5-4-6-14)17(24)22-11-2-1-3-12-22/h7-10,14H,1-6,11-13H2.
What are the key properties of N-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
N-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 175967617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).