N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide

C19H25F4N3O3 — CID 170731606

IUPACN-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
SMILESCC(=O)NC1CC1.O=C(NCc1ccc(OC(F)(F)F)cc1F)N1CCCCC1
InChIInChI=1S/C14H16F4N2O2.C5H9NO/c15-12-8-11(22-14(16,17)18)5-4-10(12)9-19-13(21)20-6-2-1-3-7-20;1-4(7)6-5-2-3-5/h4-5,8H,1-3,6-7,9H2,(H,19,21);5H,2-3H2,1H3,(H,6,7)
InChIKeyCSHUMMHDFNVUJQ-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.70
Rot. Bonds4

About N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide

N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 170731606) has the molecular formula C19H25F4N3O3 and a molecular weight of 419.42 g/mol. Its IUPAC name is N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
PubChem CID170731606
Molecular FormulaC19H25F4N3O3
Molecular Weight419.42 g/mol
Exact Mass419.18
IUPAC NameN-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
SMILESCC(=O)NC1CC1.O=C(NCc1ccc(OC(F)(F)F)cc1F)N1CCCCC1
InChIInChI=1S/C14H16F4N2O2.C5H9NO/c15-12-8-11(22-14(16,17)18)5-4-10(12)9-19-13(21)20-6-2-1-3-7-20;1-4(7)6-5-2-3-5/h4-5,8H,1-3,6-7,9H2,(H,19,21);5H,2-3H2,1H3,(H,6,7)
InChIKeyCSHUMMHDFNVUJQ-UHFFFAOYSA-N
XLogP3.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methylbutanoic acid;1-cyclopropyl-3-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]urea;N-methylpiperidine-1-carboxamide
CID 171091667
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 143615163
(3R)-3-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-N-(2-hydroxyethyl)piperidine-1-carboxamide
CID 165120152
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide
CID 79155872
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide
CID 60583825
(3S,5R)-3-(acetamidomethyl)-5-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-N-methylpiperidine-1-carboxamide
CID 171091745
N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
CID 67716553
1-[(3R,5R)-1-acetyl-5-(cyanomethyl)piperidin-3-yl]-1-cyclopropyl-3-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]urea
CID 171091974
3-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]-5-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 171091674
4-(3-methyl-1,2-oxazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
CID 166328375

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide (CID 170731606) is N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide is CC(=O)NC1CC1.O=C(NCc1ccc(OC(F)(F)F)cc1F)N1CCCCC1.
What is the InChIKey of N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is CSHUMMHDFNVUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O2.C5H9NO/c15-12-8-11(22-14(16,17)18)5-4-10(12)9-19-13(21)20-6-2-1-3-7-20;1-4(7)6-5-2-3-5/h4-5,8H,1-3,6-7,9H2,(H,19,21);5H,2-3H2,1H3,(H,6,7).
What are the key properties of N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 419.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 170731606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).