1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid

C12H23N3O3 — CID 83995032

IUPAC1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
SMILESCC(C)(C)CNC1CC(C(=O)O)CN(C(N)=O)C1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)7-14-9-4-8(10(16)17)5-15(6-9)11(13)18/h8-9,14H,4-7H2,1-3H3,(H2,13,18)(H,16,17)
InChIKeyKASWNHFIGZGTHQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.48
Rot. Bonds3

About 1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid

1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid (PubChem CID 83995032) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
PubChem CID83995032
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
SMILESCC(C)(C)CNC1CC(C(=O)O)CN(C(N)=O)C1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)7-14-9-4-8(10(16)17)5-15(6-9)11(13)18/h8-9,14H,4-7H2,1-3H3,(H2,13,18)(H,16,17)
InChIKeyKASWNHFIGZGTHQ-UHFFFAOYSA-N
XLogP0.48
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995388
1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995339
3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 83997104
3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid
CID 83995064
2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetic acid
CID 83995381
5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylic acid
CID 83993007
1-[3-(2,2-dimethylpropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83995067
2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid
CID 83995389
5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 122123942
1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83995119
1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992134
3-(2,2-dimethylpropyl)azetidine-1-carboxamide
CID 138656275

Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid (CID 83995032) is 1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid is CC(C)(C)CNC1CC(C(=O)O)CN(C(N)=O)C1.
What is the InChIKey of 1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid?
The InChIKey is KASWNHFIGZGTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-12(2,3)7-14-9-4-8(10(16)17)5-15(6-9)11(13)18/h8-9,14H,4-7H2,1-3H3,(H2,13,18)(H,16,17).
What are the key properties of 1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid?
1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83995032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).