benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate

C21H21F3N2O3 — CID 108567300

IUPACbenzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)OCc1ccccc1
InChIInChI=1S/C21H21F3N2O3/c22-21(23,24)17-8-6-16(7-9-17)19(27)26-12-10-18(11-13-26)25-20(28)29-14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,25,28)
InChIKeyVENXAIOBLPCASM-UHFFFAOYSA-N
MW406.40 g/mol
LogP4.24
Rot. Bonds4

About benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate

benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate (PubChem CID 108567300) has the molecular formula C21H21F3N2O3 and a molecular weight of 406.40 g/mol. Its IUPAC name is benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate
PubChem CID108567300
Molecular FormulaC21H21F3N2O3
Molecular Weight406.40 g/mol
Exact Mass406.15
IUPAC Namebenzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)OCc1ccccc1
InChIInChI=1S/C21H21F3N2O3/c22-21(23,24)17-8-6-16(7-9-17)19(27)26-12-10-18(11-13-26)25-20(28)29-14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,25,28)
InChIKeyVENXAIOBLPCASM-UHFFFAOYSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 4-[[4-(trifluoromethyl)benzoyl]amino]piperidine-1-carboxylate
CID 108563054
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108552674
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate
CID 68593392
2-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549263
2-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 66566868
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558603
tert-butyl (2R,5S)-5-(phenylmethoxycarbonylamino)-2-[[[4-(trifluoromethyl)benzoyl]amino]carbamoyl]piperidine-1-carboxylate
CID 155245658
benzyl N-[1-(2-chloroacetyl)azepan-4-yl]carbamate
CID 156713841

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate (CID 108567300) is benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate is O=C(NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate?
The InChIKey is VENXAIOBLPCASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O3/c22-21(23,24)17-8-6-16(7-9-17)19(27)26-12-10-18(11-13-26)25-20(28)29-14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,25,28).
What are the key properties of benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate?
benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate has a molecular weight of 406.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 108567300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).