4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid

C20H30N2O4 — CID 134499925

IUPAC4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid
SMILESCc1cc(C)c(C(=O)OC(C)(C)C)c(C)c1NC1CCN(C(=O)O)CC1
InChIInChI=1S/C20H30N2O4/c1-12-11-13(2)17(14(3)16(12)18(23)26-20(4,5)6)21-15-7-9-22(10-8-15)19(24)25/h11,15,21H,7-10H2,1-6H3,(H,24,25)
InChIKeyNHJIEMBFQVQJGX-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.12
Rot. Bonds3

About 4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid

4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid (PubChem CID 134499925) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid
PubChem CID134499925
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid
SMILESCc1cc(C)c(C(=O)OC(C)(C)C)c(C)c1NC1CCN(C(=O)O)CC1
InChIInChI=1S/C20H30N2O4/c1-12-11-13(2)17(14(3)16(12)18(23)26-20(4,5)6)21-15-7-9-22(10-8-15)19(24)25/h11,15,21H,7-10H2,1-6H3,(H,24,25)
InChIKeyNHJIEMBFQVQJGX-UHFFFAOYSA-N
XLogP4.12
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate
CID 167931452
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
3-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]amino]-2,4,6-trimethylbenzoic acid;hydrochloride
CID 134500463
4-(2,4,6-trimethylanilino)piperidine-1-carboxylate
CID 23109910
tert-butyl N-[[3-[4-[3-[[1-(3-chloro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylbenzoyl]piperazin-1-yl]-2-pyridinyl]-methyl-oxo-λ6-sulfanylidene]carbamate
CID 140869954
tert-butyl 4-(5-bromo-3-methoxycarbonyl-2-methylanilino)piperidine-1-carboxylate
CID 70872672
tert-butyl 3-(3-hydroxy-4-methylanilino)pyrrolidine-1-carboxylate
CID 107700672
tert-butyl 3-(4-bromo-2,6-dimethylanilino)azetidine-1-carboxylate
CID 63449195
tert-butyl 4-(2,3,4-trifluoro-6-nitroanilino)piperidine-1-carboxylate
CID 140763120
tert-butyl 4-(2,4-dimethylanilino)azepane-1-carboxylate
CID 103980311
tert-butyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 121204750
tert-butyl 3-chlorosulfonyl-2,4,6-trimethylbenzoate
CID 65397126

Frequently Asked Questions

What is the IUPAC name of 4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid (CID 134499925) is 4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid is Cc1cc(C)c(C(=O)OC(C)(C)C)c(C)c1NC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid?
The InChIKey is NHJIEMBFQVQJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-12-11-13(2)17(14(3)16(12)18(23)26-20(4,5)6)21-15-7-9-22(10-8-15)19(24)25/h11,15,21H,7-10H2,1-6H3,(H,24,25).
What are the key properties of 4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid?
4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid has a molecular weight of 362.47 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]anilino]piperidine-1-carboxylic acid is sourced from PubChem (CID 134499925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).