tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate

C26H33N3O4 — CID 55842021

IUPACtert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate
SMILESCC(=O)c1cccc(NC(=O)C(c2ccccc2)N2CCC(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C26H33N3O4/c1-18(30)20-11-8-12-22(17-20)27-24(31)23(19-9-6-5-7-10-19)29-15-13-21(14-16-29)28-25(32)33-26(2,3)4/h5-12,17,21,23H,13-16H2,1-4H3,(H,27,31)(H,28,32)
InChIKeyOLWXXWGEEFAHIZ-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.56
Rot. Bonds6

About tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate (PubChem CID 55842021) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate
PubChem CID55842021
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Nametert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate
SMILESCC(=O)c1cccc(NC(=O)C(c2ccccc2)N2CCC(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C26H33N3O4/c1-18(30)20-11-8-12-22(17-20)27-24(31)23(19-9-6-5-7-10-19)29-15-13-21(14-16-29)28-25(32)33-26(2,3)4/h5-12,17,21,23H,13-16H2,1-4H3,(H,27,31)(H,28,32)
InChIKeyOLWXXWGEEFAHIZ-UHFFFAOYSA-N
XLogP4.56
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate
CID 55736741
N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 55469591
tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 55841892
(2R)-2-(3-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
CID 125434622
(2S)-2-(3-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
CID 125434621
(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetic acid
CID 124704828
N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 55351073
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetate
CID 135312159
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
(2S)-2-(furan-2-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
CID 86309547
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 55470526
tert-butyl (3R)-3-[(3-acetylphenyl)carbamoylamino]pyrrolidine-1-carboxylate
CID 95318306

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate (CID 55842021) is tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate is CC(=O)c1cccc(NC(=O)C(c2ccccc2)N2CCC(NC(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate?
The InChIKey is OLWXXWGEEFAHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-18(30)20-11-8-12-22(17-20)27-24(31)23(19-9-6-5-7-10-19)29-15-13-21(14-16-29)28-25(32)33-26(2,3)4/h5-12,17,21,23H,13-16H2,1-4H3,(H,27,31)(H,28,32).
What are the key properties of tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate has a molecular weight of 451.57 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 55842021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).