3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid

C16H22N2O3 — CID 115340003

IUPAC3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)CC2CCCNC2)cc1
InChIInChI=1S/C16H22N2O3/c19-15(10-13-2-1-9-17-11-13)18-14-6-3-12(4-7-14)5-8-16(20)21/h3-4,6-7,13,17H,1-2,5,8-11H2,(H,18,19)(H,20,21)
InChIKeyDWVNQXSIPQMEOG-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.03
Rot. Bonds6

About 3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid

3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid (PubChem CID 115340003) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid
PubChem CID115340003
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)CC2CCCNC2)cc1
InChIInChI=1S/C16H22N2O3/c19-15(10-13-2-1-9-17-11-13)18-14-6-3-12(4-7-14)5-8-16(20)21/h3-4,6-7,13,17H,1-2,5,8-11H2,(H,18,19)(H,20,21)
InChIKeyDWVNQXSIPQMEOG-UHFFFAOYSA-N
XLogP2.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide
CID 62674886
N-(4-tert-butylphenyl)-2-piperidin-3-ylacetamide
CID 62690880
3-[4-[[2-(thian-4-yl)acetyl]amino]phenyl]propanoic acid
CID 83136913
N,N-dimethyl-4-[(2-piperidin-3-ylacetyl)amino]benzamide
CID 62676306
3-(4-piperidin-3-ylphenyl)propanoic acid
CID 116988287
1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride
CID 67240233
2-piperidin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 62689337
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide
CID 82260307
2-methoxy-N-[4-(piperidin-3-ylmethyl)phenyl]acetamide
CID 82260310

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid (CID 115340003) is 3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid is O=C(O)CCc1ccc(NC(=O)CC2CCCNC2)cc1.
What is the InChIKey of 3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid?
The InChIKey is DWVNQXSIPQMEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(10-13-2-1-9-17-11-13)18-14-6-3-12(4-7-14)5-8-16(20)21/h3-4,6-7,13,17H,1-2,5,8-11H2,(H,18,19)(H,20,21).
What are the key properties of 3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid?
3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-piperidin-3-ylacetyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 115340003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).