3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid

C17H32N2O2 — CID 83999059

IUPAC3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid
SMILESCCCN1CC(CCC(=O)O)CC(NC2CCCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-2-10-19-12-14(8-9-17(20)21)11-16(13-19)18-15-6-4-3-5-7-15/h14-16,18H,2-13H2,1H3,(H,20,21)
InChIKeyUCSFXCZSBUQWJI-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.87
Rot. Bonds7

About 3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid

3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid (PubChem CID 83999059) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid
PubChem CID83999059
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid
SMILESCCCN1CC(CCC(=O)O)CC(NC2CCCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-2-10-19-12-14(8-9-17(20)21)11-16(13-19)18-15-6-4-3-5-7-15/h14-16,18H,2-13H2,1H3,(H,20,21)
InChIKeyUCSFXCZSBUQWJI-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
5-butyl-N-cyclohexyl-1-propylpiperidin-3-amine
CID 83999048
3-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid
CID 83999520
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83994909
2-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]acetamide
CID 83999592
3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid
CID 83990902
2-[5-(cyclohexylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
CID 83999617
3-[5-(cyclohexylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propan-1-ol
CID 83999621
3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83990005
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953
2-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]ethanol
CID 83991999

Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid?
The IUPAC name of 3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid (CID 83999059) is 3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid is CCCN1CC(CCC(=O)O)CC(NC2CCCCC2)C1.
What is the InChIKey of 3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid?
The InChIKey is UCSFXCZSBUQWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-10-19-12-14(8-9-17(20)21)11-16(13-19)18-15-6-4-3-5-7-15/h14-16,18H,2-13H2,1H3,(H,20,21).
What are the key properties of 3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid?
3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid has a molecular weight of 296.45 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid is sourced from PubChem (CID 83999059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).