benzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate

C20H22F3N3O2 — CID 66756558

IUPACbenzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCC1(NC(=O)OCc2ccccc2)CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H22F3N3O2/c1-19(25-18(27)28-14-15-5-3-2-4-6-15)9-11-26(12-10-19)17-8-7-16(13-24-17)20(21,22)23/h2-8,13H,9-12,14H2,1H3,(H,25,27)
InChIKeyPDCWHKPJHFVGGJ-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.39
Rot. Bonds4

About benzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate

benzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate (PubChem CID 66756558) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is benzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
PubChem CID66756558
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Namebenzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCC1(NC(=O)OCc2ccccc2)CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H22F3N3O2/c1-19(25-18(27)28-14-15-5-3-2-4-6-15)9-11-26(12-10-19)17-8-7-16(13-24-17)20(21,22)23/h2-8,13H,9-12,14H2,1H3,(H,25,27)
InChIKeyPDCWHKPJHFVGGJ-UHFFFAOYSA-N
XLogP4.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate (CID 66756558) is benzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate is CC1(NC(=O)OCc2ccccc2)CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of benzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate?
The InChIKey is PDCWHKPJHFVGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-19(25-18(27)28-14-15-5-3-2-4-6-15)9-11-26(12-10-19)17-8-7-16(13-24-17)20(21,22)23/h2-8,13H,9-12,14H2,1H3,(H,25,27).
What are the key properties of benzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate?
benzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate has a molecular weight of 393.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 66756558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).