methyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate

C22H32N2O4 — CID 71875373

IUPACmethyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate
SMILESCOC(=O)C(NC(=O)C1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C(C)(C)C
InChIInChI=1S/C22H32N2O4/c1-14-10-15(2)12-17(11-14)20(26)24-9-7-8-16(13-24)19(25)23-18(21(27)28-6)22(3,4)5/h10-12,16,18H,7-9,13H2,1-6H3,(H,23,25)
InChIKeyDXXZOPQBLONRCP-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.86
Rot. Bonds4

About methyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate

methyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate (PubChem CID 71875373) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is methyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate
PubChem CID71875373
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Namemethyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate
SMILESCOC(=O)C(NC(=O)C1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C(C)(C)C
InChIInChI=1S/C22H32N2O4/c1-14-10-15(2)12-17(11-14)20(26)24-9-7-8-16(13-24)19(25)23-18(21(27)28-6)22(3,4)5/h10-12,16,18H,7-9,13H2,1-6H3,(H,23,25)
InChIKeyDXXZOPQBLONRCP-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 46488810
methyl 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate
CID 75372384
N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119589481
2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methylbutanoic acid
CID 119199011
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
(3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 51959136
N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119422003
(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94082813
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide
CID 120829554
N-[(3,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55792149

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate?
The IUPAC name of methyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate (CID 71875373) is methyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate.
What is the SMILES notation for methyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate?
The canonical SMILES for methyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate is COC(=O)C(NC(=O)C1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C(C)(C)C.
What is the InChIKey of methyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate?
The InChIKey is DXXZOPQBLONRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-14-10-15(2)12-17(11-14)20(26)24-9-7-8-16(13-24)19(25)23-18(21(27)28-6)22(3,4)5/h10-12,16,18H,7-9,13H2,1-6H3,(H,23,25).
What are the key properties of methyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate?
methyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate has a molecular weight of 388.51 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate is sourced from PubChem (CID 71875373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).