phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate

C19H20F3N3O2 — CID 118233827

IUPACphenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1cc(CN2CCNCC2)cc(C(F)(F)F)c1)Oc1ccccc1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)15-10-14(13-25-8-6-23-7-9-25)11-16(12-15)24-18(26)27-17-4-2-1-3-5-17/h1-5,10-12,23H,6-9,13H2,(H,24,26)
InChIKeyKPLZMTYOYBUBKO-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.72
Rot. Bonds4

About phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate

phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate (PubChem CID 118233827) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate
PubChem CID118233827
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Namephenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1cc(CN2CCNCC2)cc(C(F)(F)F)c1)Oc1ccccc1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)15-10-14(13-25-8-6-23-7-9-25)11-16(12-15)24-18(26)27-17-4-2-1-3-5-17/h1-5,10-12,23H,6-9,13H2,(H,24,26)
InChIKeyKPLZMTYOYBUBKO-UHFFFAOYSA-N
XLogP3.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-[2-[[[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide
CID 145268881
2,2,2-trichloroethyl N-[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate
CID 159497359
phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate
CID 66876567
3-[3-(phenoxycarbonylamino)-5-(trifluoromethyl)phenoxy]azetidine-1-carboxylic acid
CID 90019913
phenyl N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]carbamate
CID 2820524
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
2-(4-benzyl-1,4-diazepan-1-yl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 16608496
N-[3-[(4-methyl-3-oxopiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 175812419
phenyl N-[6-(piperidin-4-ylamino)-4-(trifluoromethyl)-2-pyridinyl]carbamate
CID 118233953
4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 5260669
phenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 146178030
N-[[5-[[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-propylphenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 168846898

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate (CID 118233827) is phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate is O=C(Nc1cc(CN2CCNCC2)cc(C(F)(F)F)c1)Oc1ccccc1.
What is the InChIKey of phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate?
The InChIKey is KPLZMTYOYBUBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)15-10-14(13-25-8-6-23-7-9-25)11-16(12-15)24-18(26)27-17-4-2-1-3-5-17/h1-5,10-12,23H,6-9,13H2,(H,24,26).
What are the key properties of phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate?
phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate has a molecular weight of 379.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 118233827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).