tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate

C18H26N2O3 — CID 112544487

IUPACtert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate
SMILESCC(=O)N1CC(NC(=O)OC(C)(C)C)CC(c2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-13(21)20-11-15(14-8-6-5-7-9-14)10-16(12-20)19-17(22)23-18(2,3)4/h5-9,15-16H,10-12H2,1-4H3,(H,19,22)
InChIKeyJIHSRQVPIXMMGV-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.92
Rot. Bonds2

About tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate

tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate (PubChem CID 112544487) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate
PubChem CID112544487
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nametert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate
SMILESCC(=O)N1CC(NC(=O)OC(C)(C)C)CC(c2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-13(21)20-11-15(14-8-6-5-7-9-14)10-16(12-20)19-17(22)23-18(2,3)4/h5-9,15-16H,10-12H2,1-4H3,(H,19,22)
InChIKeyJIHSRQVPIXMMGV-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(1-acetyl-5-phenylpiperidin-3-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

tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate
CID 139378275
tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate
CID 112544288
tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate
CID 112544293
methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate
CID 170979091
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
3-benzoyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 67500512
tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 167388554
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
1-[3-(3-methylbutylamino)-5-phenylpiperidin-1-yl]ethanone
CID 83995765
benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate
CID 118413200
tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
CID 110874414
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate (CID 112544487) is tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate is CC(=O)N1CC(NC(=O)OC(C)(C)C)CC(c2ccccc2)C1.
What is the InChIKey of tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate?
The InChIKey is JIHSRQVPIXMMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(21)20-11-15(14-8-6-5-7-9-14)10-16(12-20)19-17(22)23-18(2,3)4/h5-9,15-16H,10-12H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate?
tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate has a molecular weight of 318.42 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112544487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).