4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid

C9H17N3O3 — CID 83266479

IUPAC4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCN(C)C(=O)N1CCC(N)(C(=O)O)CC1
InChIInChI=1S/C9H17N3O3/c1-11(2)8(15)12-5-3-9(10,4-6-12)7(13)14/h3-6,10H2,1-2H3,(H,13,14)
InChIKeyVUJYQVYZKFNRTL-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.45
Rot. Bonds1

About 4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid

4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 83266479) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID83266479
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCN(C)C(=O)N1CCC(N)(C(=O)O)CC1
InChIInChI=1S/C9H17N3O3/c1-11(2)8(15)12-5-3-9(10,4-6-12)7(13)14/h3-6,10H2,1-2H3,(H,13,14)
InChIKeyVUJYQVYZKFNRTL-UHFFFAOYSA-N
XLogP-0.45
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-4-aminopiperidine-4-carboxylic acid
CID 127018755
N,N-dimethyl-3-azaspiro[5.5]undecane-3-carboxamide
CID 115605545
4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 115294360
4-(difluoromethyl)-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 83266382
4-(butan-2-ylamino)-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid
CID 83265484
4-amino-1-methoxypiperidine-4-carboxylic acid
CID 59614576
3-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]propanoic acid
CID 83266385
N,N,8,11-tetramethyl-3,8,11-triazaspiro[5.6]dodecane-3-carboxamide
CID 168983400
4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 83265091
ethyl 2-[4-(dimethylamino)-1-(dimethylcarbamoyl)piperidin-4-yl]acetate
CID 83265878
2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid
CID 83266074
3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid
CID 62231766

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid (CID 83266479) is 4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid is CN(C)C(=O)N1CCC(N)(C(=O)O)CC1.
What is the InChIKey of 4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is VUJYQVYZKFNRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-11(2)8(15)12-5-3-9(10,4-6-12)7(13)14/h3-6,10H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid?
4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 83266479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).