5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid

C16H30N2O3 — CID 65493929

IUPAC5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)CCC1CCNCC1)CC(=O)O
InChIInChI=1S/C16H30N2O3/c1-12(2)9-14(10-16(20)21)11-18-15(19)4-3-13-5-7-17-8-6-13/h12-14,17H,3-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMOSGVIYTFNOAJG-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.02
Rot. Bonds9

About 5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid

5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid (PubChem CID 65493929) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid
PubChem CID65493929
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)CCC1CCNCC1)CC(=O)O
InChIInChI=1S/C16H30N2O3/c1-12(2)9-14(10-16(20)21)11-18-15(19)4-3-13-5-7-17-8-6-13/h12-14,17H,3-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMOSGVIYTFNOAJG-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid
CID 65224381
(2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid
CID 62210939
(3S)-3-[(3-aminopropanoylamino)methyl]-5-methylhexanoic acid
CID 65493919
(3S)-5-methyl-3-[[3-(methylamino)propanoylamino]methyl]hexanoic acid
CID 65494541
N-butan-2-yl-3-piperidin-4-ylpropanamide
CID 62210305
2-methyl-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 80539959
2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid
CID 62210241
5-methyl-3-[[4-(methylamino)butanoylamino]methyl]hexanoic acid
CID 65494760
(3S)-3-[[(5-amino-4-methylpentanoyl)amino]methyl]-5-methylhexanoic acid
CID 82688879
3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid
CID 65493920
5-methyl-3-[(octanoylamino)methyl]hexanoic acid
CID 65492458
(3S)-3-[[[2-(cyclopentylamino)acetyl]amino]methyl]-5-methylhexanoic acid
CID 65493498

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid?
The IUPAC name of 5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid (CID 65493929) is 5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid.
What is the SMILES notation for 5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid?
The canonical SMILES for 5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid is CC(C)CC(CNC(=O)CCC1CCNCC1)CC(=O)O.
What is the InChIKey of 5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid?
The InChIKey is MOSGVIYTFNOAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)9-14(10-16(20)21)11-18-15(19)4-3-13-5-7-17-8-6-13/h12-14,17H,3-11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid?
5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.02, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid is sourced from PubChem (CID 65493929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).