phenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate

C19H21F3N4O2 — CID 146178030

IUPACphenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESCN1CCN(Cc2ncc(NC(=O)Oc3ccccc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C19H21F3N4O2/c1-25-7-9-26(10-8-25)13-17-16(19(20,21)22)11-14(12-23-17)24-18(27)28-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,24,27)
InChIKeyLIWRRPFFODEZNZ-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.46
Rot. Bonds4

About phenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate

phenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate (PubChem CID 146178030) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is phenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namephenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate
PubChem CID146178030
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Namephenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESCN1CCN(Cc2ncc(NC(=O)Oc3ccccc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C19H21F3N4O2/c1-25-7-9-26(10-8-25)13-17-16(19(20,21)22)11-14(12-23-17)24-18(27)28-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,24,27)
InChIKeyLIWRRPFFODEZNZ-UHFFFAOYSA-N
XLogP3.46
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 4552577
5-iodo-6-(methoxymethyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 141343028
phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate
CID 66876567
phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate
CID 169322862
phenyl N-[3-(piperazin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamate
CID 118233827
[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] 6-aminopyrimidine-4-carboxylate
CID 152645998
phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate
CID 155202112
phenyl N-(6-fluoro-3-pyridinyl)carbamate
CID 59313675
[2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenyl] carbamate;hydrochloride
CID 174521766
phenyl N-[5-(2-cyclopropylethynyl)-6-(1,1-difluoroethyl)-3-pyridinyl]carbamate
CID 176654544
4-methyl-3-[2-(1-methylisoquinolin-4-yl)ethynyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 144752875
[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl] carbamate
CID 174951749

Frequently Asked Questions

What is the IUPAC name of phenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The IUPAC name of phenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate (CID 146178030) is phenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for phenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The canonical SMILES for phenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate is CN1CCN(Cc2ncc(NC(=O)Oc3ccccc3)cc2C(F)(F)F)CC1.
What is the InChIKey of phenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The InChIKey is LIWRRPFFODEZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-25-7-9-26(10-8-25)13-17-16(19(20,21)22)11-14(12-23-17)24-18(27)28-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,24,27).
What are the key properties of phenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate?
phenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate has a molecular weight of 394.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[6-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 146178030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).