1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid

C14H25NO4 — CID 151047348

IUPAC1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC(OC(=O)N1CCC(C)(C(=O)O)CC1)C(C)(C)C
InChIInChI=1S/C14H25NO4/c1-10(13(2,3)4)19-12(18)15-8-6-14(5,7-9-15)11(16)17/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeyMDJGOSGMYDQXKJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.74
Rot. Bonds2

About 1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid

1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 151047348) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID151047348
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC(OC(=O)N1CCC(C)(C(=O)O)CC1)C(C)(C)C
InChIInChI=1S/C14H25NO4/c1-10(13(2,3)4)19-12(18)15-8-6-14(5,7-9-15)11(16)17/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeyMDJGOSGMYDQXKJ-UHFFFAOYSA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
[(2R)-3,3-dimethylbutan-2-yl] piperidine-1-carboxylate
CID 134419210
1-butoxycarbonyl-4-methylpiperidine-4-carboxylic acid
CID 66661220
1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55179302
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid
CID 79023198
4-methyl-1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 115986555
1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123591
1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55179110
1-(2,2-difluoroacetyl)-4-methylpiperidine-4-carboxylic acid
CID 103513272
tert-butyl 4-(dimethylcarbamoyl)-4-methylpiperidine-1-carboxylate;dimethylazanium;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;chloride
CID 157205487
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid (CID 151047348) is 1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid is CC(OC(=O)N1CCC(C)(C(=O)O)CC1)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is MDJGOSGMYDQXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(13(2,3)4)19-12(18)15-8-6-14(5,7-9-15)11(16)17/h10H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid?
1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 151047348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).