2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid

C17H26N2O2 — CID 64560977

IUPAC2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid
SMILESCCCN(CC(C(=O)O)c1ccccc1)C1CCCNC1
InChIInChI=1S/C17H26N2O2/c1-2-11-19(15-9-6-10-18-12-15)13-16(17(20)21)14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3,(H,20,21)
InChIKeyRRSUIBGDBUMNQE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.32
Rot. Bonds7

About 2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid

2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid (PubChem CID 64560977) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid
PubChem CID64560977
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid
SMILESCCCN(CC(C(=O)O)c1ccccc1)C1CCCNC1
InChIInChI=1S/C17H26N2O2/c1-2-11-19(15-9-6-10-18-12-15)13-16(17(20)21)14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3,(H,20,21)
InChIKeyRRSUIBGDBUMNQE-UHFFFAOYSA-N
XLogP2.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate
CID 64560589
3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid
CID 63067063
N-(1-phenylpropyl)-N-propylpiperidin-3-amine
CID 63638122
3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
CID 55146888
N-ethyl-N-(3-phenylbutyl)piperidin-3-amine
CID 63636544
N-(4-phenylbutyl)-N-propylpiperidin-3-amine
CID 114334204
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid
CID 64567098
N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine
CID 79983628
N-propyl-N-(quinolin-2-ylmethyl)piperidin-3-amine
CID 63638032
3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide
CID 77002821

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid?
The IUPAC name of 2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid (CID 64560977) is 2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid.
What is the SMILES notation for 2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid?
The canonical SMILES for 2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid is CCCN(CC(C(=O)O)c1ccccc1)C1CCCNC1.
What is the InChIKey of 2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid?
The InChIKey is RRSUIBGDBUMNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-11-19(15-9-6-10-18-12-15)13-16(17(20)21)14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3,(H,20,21).
What are the key properties of 2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid?
2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid has a molecular weight of 290.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[piperidin-3-yl(propyl)amino]propanoic acid is sourced from PubChem (CID 64560977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).