1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid

C14H25N3O4 — CID 122118464

IUPAC1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCCCC(NC(N)=O)C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-3-4-5-11(16-14(15)21)12(18)17-7-9(2)6-10(8-17)13(19)20/h9-11H,3-8H2,1-2H3,(H,19,20)(H3,15,16,21)
InChIKeyVZOGQOBZFMZHBV-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.78
Rot. Bonds6

About 1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122118464) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122118464
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCCCC(NC(N)=O)C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-3-4-5-11(16-14(15)21)12(18)17-7-9(2)6-10(8-17)13(19)20/h9-11H,3-8H2,1-2H3,(H,19,20)(H3,15,16,21)
InChIKeyVZOGQOBZFMZHBV-UHFFFAOYSA-N
XLogP0.78
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylsulfanyl-3-methylbutanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119769
[(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea
CID 124725714
1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122518
(3R)-1-[2-(carbamoylamino)-4-methylpentanoyl]piperidine-3-carboxylic acid
CID 81119735
5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122121872
5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122120007
(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)urea
CID 60634739
(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpentan-1-one
CID 26832725
1-(3-butylsulfanylpropanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118192
5-methyl-1-[[(2S)-1,1,1-trifluorobutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122102931
1-[2-(cyclopentylmethyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119716
[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride
CID 119649300

Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid (CID 122118464) is 1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid is CCCCC(NC(N)=O)C(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is VZOGQOBZFMZHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-4-5-11(16-14(15)21)12(18)17-7-9(2)6-10(8-17)13(19)20/h9-11H,3-8H2,1-2H3,(H,19,20)(H3,15,16,21).
What are the key properties of 1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)hexanoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122118464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).