4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid

C16H30N2O3 — CID 65286080

IUPAC4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid
SMILESCC(C)(CCNC(=O)CCC1CCCNC1)CCC(=O)O
InChIInChI=1S/C16H30N2O3/c1-16(2,8-7-15(20)21)9-11-18-14(19)6-5-13-4-3-10-17-12-13/h13,17H,3-12H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyCMOURXDOPGMJHV-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.16
Rot. Bonds9

About 4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid

4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid (PubChem CID 65286080) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid
PubChem CID65286080
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid
SMILESCC(C)(CCNC(=O)CCC1CCCNC1)CCC(=O)O
InChIInChI=1S/C16H30N2O3/c1-16(2,8-7-15(20)21)9-11-18-14(19)6-5-13-4-3-10-17-12-13/h13,17H,3-12H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyCMOURXDOPGMJHV-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 66177244
3-cyclopentyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]propanamide
CID 119555898
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 114515740
5,5-dimethyl-N-(2-piperidin-3-ylethyl)hexanamide;hydrochloride
CID 119559479
4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid
CID 65285697
2,2,3-trimethyl-3-(3-piperidin-3-ylpropanoylamino)butanoic acid
CID 65265781
N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide
CID 114467819
(2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 107835993
3-methoxy-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555798
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-piperidin-3-ylpropanamide
CID 106350021
3-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557757

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid (CID 65286080) is 4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid is CC(C)(CCNC(=O)CCC1CCCNC1)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid?
The InChIKey is CMOURXDOPGMJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,8-7-15(20)21)9-11-18-14(19)6-5-13-4-3-10-17-12-13/h13,17H,3-12H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid?
4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.16, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid is sourced from PubChem (CID 65286080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).