6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid

C15H28N2O3 — CID 103500260

IUPAC6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid
SMILESCC(C)C1CCN(C(=O)NCCCCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-12(2)13-7-10-17(11-8-13)15(20)16-9-5-3-4-6-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyJLCZOUHUMABHCS-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds7

About 6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid

6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid (PubChem CID 103500260) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid
PubChem CID103500260
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid
SMILESCC(C)C1CCN(C(=O)NCCCCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-12(2)13-7-10-17(11-8-13)15(20)16-9-5-3-4-6-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyJLCZOUHUMABHCS-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Methylbutylcarbamoyl)piperidine-4-carboxylic acid
CID 28513136
2-[(3R,4S)-1-(cyclohexylcarbamoyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid
CID 28959547
2-{1-[(2-Methylpropyl)carbamoyl]piperidin-3-yl}acetic acid
CID 53625439
2-[(3R,4S)-3-[2-(diethylamino)ethyl]-1-(propan-2-ylcarbamoyl)piperidin-4-yl]acetic acid
CID 25312595
N-[(4-methylpiperidin-1-yl)carbonyl]-D-leucine
CID 7692578
1-(Butylcarbamoyl)piperidine-4-carboxylic acid
CID 16228478
3-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid
CID 55049325
2-[1-(3,3,3-Trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid
CID 55175147
3-[1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62212562
3-[1-[Methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62216229
2-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690838
3-[1-(3,3,3-Trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid
CID 63227814

Frequently Asked Questions

What is the IUPAC name of 6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid (CID 103500260) is 6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid is CC(C)C1CCN(C(=O)NCCCCCC(=O)O)CC1.
What is the InChIKey of 6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid?
The InChIKey is JLCZOUHUMABHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)13-7-10-17(11-8-13)15(20)16-9-5-3-4-6-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid?
6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-propan-2-ylpiperidine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 103500260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).