tert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate

C20H30N2O4 — CID 175193095

IUPACtert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate
SMILESCOc1ccc(N(C(C)=O)C2CC(C)CCN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H30N2O4/c1-14-11-12-21(19(24)26-20(3,4)5)18(13-14)22(15(2)23)16-7-9-17(25-6)10-8-16/h7-10,14,18H,11-13H2,1-6H3
InChIKeyGIAPOLRWPZRYRQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.04
Rot. Bonds3

About tert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate

tert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate (PubChem CID 175193095) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate
PubChem CID175193095
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate
SMILESCOc1ccc(N(C(C)=O)C2CC(C)CCN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H30N2O4/c1-14-11-12-21(19(24)26-20(3,4)5)18(13-14)22(15(2)23)16-7-9-17(25-6)10-8-16/h7-10,14,18H,11-13H2,1-6H3
InChIKeyGIAPOLRWPZRYRQ-UHFFFAOYSA-N
XLogP4.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S,4R)-2-(4-hydroxyphenyl)-4-methylpiperidine-1-carboxylate
CID 138627786
1-O-tert-butyl 3-O-ethyl (2R,3R,4R)-4-(4-methoxyphenyl)-2-methylpiperidine-1,3-dicarboxylate
CID 138743570
1-O-tert-butyl 2-O-methyl 4-methylpiperidine-1,2-dicarboxylate
CID 21032095
tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane
CID 143303337
tert-butyl 2-(4-methoxyanilino)pyrrolidine-1-carboxylate
CID 69191573
tert-butyl 4-[(Z)-2-(4-methoxyphenyl)ethenyl]piperidine-1-carboxylate
CID 134385626
tert-butyl 2-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724026
N-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 138348366
(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358
tert-butyl (1S)-7-(4-methoxybenzoyl)-6-thia-2-azabicyclo[3.2.0]heptane-2-carboxylate
CID 142507270
tert-butyl N-(2-bicyclo[2.2.1]hept-5-enyl)-N-(4-methoxyphenyl)carbamate
CID 134999298
tert-butyl (4S)-4-methyl-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 172506899

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate (CID 175193095) is tert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate is COc1ccc(N(C(C)=O)C2CC(C)CCN2C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate?
The InChIKey is GIAPOLRWPZRYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-14-11-12-21(19(24)26-20(3,4)5)18(13-14)22(15(2)23)16-7-9-17(25-6)10-8-16/h7-10,14,18H,11-13H2,1-6H3.
What are the key properties of tert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate?
tert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(N-acetyl-4-methoxyanilino)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 175193095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).