5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid

C14H26N2O3 — CID 65492071

IUPAC5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)C1CCCNC1)CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)6-11(7-13(17)18)8-16-14(19)12-4-3-5-15-9-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyODSGGEMQIXCOMH-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.24
Rot. Bonds7

About 5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid

5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid (PubChem CID 65492071) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid
PubChem CID65492071
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)C1CCCNC1)CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)6-11(7-13(17)18)8-16-14(19)12-4-3-5-15-9-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyODSGGEMQIXCOMH-UHFFFAOYSA-N
XLogP1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(dimethylamino)-4-methylpentyl]piperidine-3-carboxamide
CID 81141730
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
(3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid
CID 103869655
N-(2,3-dimethylbutyl)piperidine-3-carboxamide;hydrochloride
CID 119330823
2-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81134818
(3R)-N-(2-ethylhexyl)piperidine-3-carboxamide
CID 81141050
(3S)-3-[(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)methyl]-5-methylhexanoic acid
CID 102893245
(3R)-N-(3-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 81140932
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
5-methyl-3-[[[(2S)-oxolane-2-carbonyl]amino]methyl]hexanoic acid
CID 104855778
(3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
CID 65495163

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid?
The IUPAC name of 5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid (CID 65492071) is 5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid.
What is the SMILES notation for 5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid?
The canonical SMILES for 5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid is CC(C)CC(CNC(=O)C1CCCNC1)CC(=O)O.
What is the InChIKey of 5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid?
The InChIKey is ODSGGEMQIXCOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)6-11(7-13(17)18)8-16-14(19)12-4-3-5-15-9-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid?
5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid is sourced from PubChem (CID 65492071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).