6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid

C16H28N2O4 — CID 119220092

IUPAC6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid
SMILESCC(C)C(=O)N1CCC(C(=O)NCCCCCC(=O)O)CC1
InChIInChI=1S/C16H28N2O4/c1-12(2)16(22)18-10-7-13(8-11-18)15(21)17-9-5-3-4-6-14(19)20/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyHJBKEUSUVSYHFI-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.64
Rot. Bonds8

About 6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid

6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid (PubChem CID 119220092) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid
PubChem CID119220092
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid
SMILESCC(C)C(=O)N1CCC(C(=O)NCCCCCC(=O)O)CC1
InChIInChI=1S/C16H28N2O4/c1-12(2)16(22)18-10-7-13(8-11-18)15(21)17-9-5-3-4-6-14(19)20/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyHJBKEUSUVSYHFI-UHFFFAOYSA-N
XLogP1.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 62033036
N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113003552
6-[(1-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 54938980
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638
N-(2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 43418235
5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 62032483
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38572415
N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113238678
N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32795265
1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 93376438

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid (CID 119220092) is 6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid is CC(C)C(=O)N1CCC(C(=O)NCCCCCC(=O)O)CC1.
What is the InChIKey of 6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid?
The InChIKey is HJBKEUSUVSYHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-12(2)16(22)18-10-7-13(8-11-18)15(21)17-9-5-3-4-6-14(19)20/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid?
6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid has a molecular weight of 312.41 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 119220092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).