2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid

C17H23NO3 — CID 136546901

IUPAC2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid
SMILESCCCC1CCCCN1C(=O)c1cccc(CC(=O)O)c1
InChIInChI=1S/C17H23NO3/c1-2-6-15-9-3-4-10-18(15)17(21)14-8-5-7-13(11-14)12-16(19)20/h5,7-8,11,15H,2-4,6,9-10,12H2,1H3,(H,19,20)
InChIKeyYXNWGQWFJALOED-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.11
Rot. Bonds5

About 2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid

2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid (PubChem CID 136546901) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid
PubChem CID136546901
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid
SMILESCCCC1CCCCN1C(=O)c1cccc(CC(=O)O)c1
InChIInChI=1S/C17H23NO3/c1-2-6-15-9-3-4-10-18(15)17(21)14-8-5-7-13(11-14)12-16(19)20/h5,7-8,11,15H,2-4,6,9-10,12H2,1H3,(H,19,20)
InChIKeyYXNWGQWFJALOED-UHFFFAOYSA-N
XLogP3.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107689544
(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83055938
1-[[3-[2-(2-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 154762151
[3-(aminomethyl)phenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633838
[2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 55187614
(3-bromophenyl)-[2-(2-chloroethyl)piperidin-1-yl]methanone
CID 63393628
[4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83053387
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid?
The IUPAC name of 2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid (CID 136546901) is 2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid is CCCC1CCCCN1C(=O)c1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid?
The InChIKey is YXNWGQWFJALOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-6-15-9-3-4-10-18(15)17(21)14-8-5-7-13(11-14)12-16(19)20/h5,7-8,11,15H,2-4,6,9-10,12H2,1H3,(H,19,20).
What are the key properties of 2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid?
2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid has a molecular weight of 289.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid is sourced from PubChem (CID 136546901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).