5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid

C13H23N3O4 — CID 82848994

IUPAC5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C13H23N3O4/c1-9(5-4-7-11(17)18)15-13(20)16-8-3-2-6-10(16)12(14)19/h9-10H,2-8H2,1H3,(H2,14,19)(H,15,20)(H,17,18)
InChIKeyFDOXCHTZTUQSCZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.68
Rot. Bonds6

About 5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid

5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid (PubChem CID 82848994) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid
PubChem CID82848994
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C13H23N3O4/c1-9(5-4-7-11(17)18)15-13(20)16-8-3-2-6-10(16)12(14)19/h9-10H,2-8H2,1H3,(H2,14,19)(H,15,20)(H,17,18)
InChIKeyFDOXCHTZTUQSCZ-UHFFFAOYSA-N
XLogP0.68
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830729
(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566579
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid
CID 82848019
2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200145
5-(piperidine-1-carbonylamino)hexanoic acid
CID 82854268
(2S)-1-(hexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55050550
4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 43222532
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
CID 11390539
2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221074
1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63925924
5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
CID 82848661

Frequently Asked Questions

What is the IUPAC name of 5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid (CID 82848994) is 5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)N1CCCCC1C(N)=O.
What is the InChIKey of 5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid?
The InChIKey is FDOXCHTZTUQSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(5-4-7-11(17)18)15-13(20)16-8-3-2-6-10(16)12(14)19/h9-10H,2-8H2,1H3,(H2,14,19)(H,15,20)(H,17,18).
What are the key properties of 5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid?
5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82848994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).