6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid

C14H26N2O3 — CID 28934319

IUPAC6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid
SMILESC[C@H]1C[C@H](C)CN(C(=O)NCCCCCC(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-11-8-12(2)10-16(9-11)14(19)15-7-5-3-4-6-13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)/t11-,12-/m0/s1
InChIKeyFLFLTIKDEDDMMB-RYUDHWBXSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds6

About 6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid

6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid (PubChem CID 28934319) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid
PubChem CID28934319
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid
SMILESC[C@H]1C[C@H](C)CN(C(=O)NCCCCCC(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-11-8-12(2)10-16(9-11)14(19)15-7-5-3-4-6-13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)/t11-,12-/m0/s1
InChIKeyFLFLTIKDEDDMMB-RYUDHWBXSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
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
1-((Propan-2-yl)carbamoyl)piperidine-3-carboxylic acid
CID 42952304
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
N-[(3,5-dimethylpiperidin-1-yl)carbonyl]-L-leucine
CID 17579063
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

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid (CID 28934319) is 6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid is C[C@H]1C[C@H](C)CN(C(=O)NCCCCCC(=O)O)C1.
What is the InChIKey of 6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid?
The InChIKey is FLFLTIKDEDDMMB-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11-8-12(2)10-16(9-11)14(19)15-7-5-3-4-6-13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)/t11-,12-/m0/s1.
What are the key properties of 6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid?
6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 28934319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).