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

C18H32N2O2 — CID 83999520

IUPAC3-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CC(CC2CC2)CC(NC2CCCCC2)C1
InChIInChI=1S/C18H32N2O2/c21-18(22)8-9-20-12-15(10-14-6-7-14)11-17(13-20)19-16-4-2-1-3-5-16/h14-17,19H,1-13H2,(H,21,22)
InChIKeyYIECDNJPTOBSKF-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.87
Rot. Bonds7

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

3-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid (PubChem CID 83999520) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 3-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid
PubChem CID83999520
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name3-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CC(CC2CC2)CC(NC2CCCCC2)C1
InChIInChI=1S/C18H32N2O2/c21-18(22)8-9-20-12-15(10-14-6-7-14)11-17(13-20)19-16-4-2-1-3-5-16/h14-17,19H,1-13H2,(H,21,22)
InChIKeyYIECDNJPTOBSKF-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83999059
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
ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate
CID 83999858
5-butyl-N-cyclohexyl-1-propylpiperidin-3-amine
CID 83999048
2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol
CID 83999450
3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83990005
2-[5-(cyclohexylamino)-1-cyclopentylpiperidin-3-yl]acetic acid
CID 83999366
2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83991921
3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61194091
1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
CID 83999658
methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate
CID 83998859

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid (CID 83999520) is 3-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid is O=C(O)CCN1CC(CC2CC2)CC(NC2CCCCC2)C1.
What is the InChIKey of 3-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid?
The InChIKey is YIECDNJPTOBSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c21-18(22)8-9-20-12-15(10-14-6-7-14)11-17(13-20)19-16-4-2-1-3-5-16/h14-17,19H,1-13H2,(H,21,22).
What are the key properties of 3-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid?
3-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid has a molecular weight of 308.47 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-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 83999520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).