tert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate

C19H28N2O3 — CID 10640342

IUPACtert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate
SMILESCC1(C)CCN(C(=O)OC(C)(C)C)C(C(=O)c2ccccc2N)C1
InChIInChI=1S/C19H28N2O3/c1-18(2,3)24-17(23)21-11-10-19(4,5)12-15(21)16(22)13-8-6-7-9-14(13)20/h6-9,15H,10-12,20H2,1-5H3
InChIKeyPLUVCDQSZWOHMX-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.88
Rot. Bonds2

About tert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate

tert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate (PubChem CID 10640342) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate
PubChem CID10640342
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate
SMILESCC1(C)CCN(C(=O)OC(C)(C)C)C(C(=O)c2ccccc2N)C1
InChIInChI=1S/C19H28N2O3/c1-18(2,3)24-17(23)21-11-10-19(4,5)12-15(21)16(22)13-8-6-7-9-14(13)20/h6-9,15H,10-12,20H2,1-5H3
InChIKeyPLUVCDQSZWOHMX-UHFFFAOYSA-N
XLogP3.88
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[[(1S)-1-(4-methoxycarbonylphenyl)ethyl]carbamoyl]-4,4-dimethylpiperidine-1-carboxylate
CID 71187444
tert-butyl (2R)-2-[[(1S)-1-(4-methoxycarbonylphenyl)ethyl]carbamoyl]-4,4-dimethylpiperidine-1-carboxylate
CID 122530124
tert-butyl (2S)-2-benzoylazetidine-1-carboxylate
CID 137368495
tert-butyl (2R,4S)-4-hydroxy-4-methyl-2-phenylpiperidine-1-carboxylate
CID 131731160
tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 34178068
tert-butyl 2-(3-amino-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)-4,4-dimethylpiperidine-1-carboxylate
CID 22405353
CID 163823517
CID 163823517
tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate
CID 67505810
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
benzyl 2-(cyclopropanecarbonyl)-4,4-dimethylpiperidine-1-carboxylate;molecular hydrogen
CID 144945092
tert-butyl N-[1-(2-aminobenzoyl)-4,4-dimethylcyclohexyl]carbamate
CID 10641332
tert-butyl 4,4-dimethyl-2-(2-methylphenyl)pyrrolidine-1-carboxylate
CID 164551205

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate (CID 10640342) is tert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate is CC1(C)CCN(C(=O)OC(C)(C)C)C(C(=O)c2ccccc2N)C1.
What is the InChIKey of tert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate?
The InChIKey is PLUVCDQSZWOHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-18(2,3)24-17(23)21-11-10-19(4,5)12-15(21)16(22)13-8-6-7-9-14(13)20/h6-9,15H,10-12,20H2,1-5H3.
What are the key properties of tert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate?
tert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-aminobenzoyl)-4,4-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 10640342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).