2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid

C22H25N3O4 — CID 131935846

IUPAC2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid
SMILESCC(Oc1ccccc1CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)O
InChIInChI=1S/C22H25N3O4/c1-15(21(26)27)29-20-9-5-2-6-16(20)14-24-12-10-17(11-13-24)25-19-8-4-3-7-18(19)23-22(25)28/h2-9,15,17H,10-14H2,1H3,(H,23,28)(H,26,27)
InChIKeyLPSHDNFMNYPEDU-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.02
Rot. Bonds6

About 2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid

2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid (PubChem CID 131935846) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid
PubChem CID131935846
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid
SMILESCC(Oc1ccccc1CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)O
InChIInChI=1S/C22H25N3O4/c1-15(21(26)27)29-20-9-5-2-6-16(20)14-24-12-10-17(11-13-24)25-19-8-4-3-7-18(19)23-22(25)28/h2-9,15,17H,10-14H2,1H3,(H,23,28)(H,26,27)
InChIKeyLPSHDNFMNYPEDU-UHFFFAOYSA-N
XLogP3.02
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid with MolForge

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Related Compounds

3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 11743757
3-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735754
(2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid
CID 99931808
3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 141215819
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-[2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperidin-4-yl]-1H-benzimidazol-2-one;oxalic acid
CID 110168486
3-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119696098
3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968600
3-[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126769361
3-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968593
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 51078345
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid?
The IUPAC name of 2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid (CID 131935846) is 2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid?
The canonical SMILES for 2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid is CC(Oc1ccccc1CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)O.
What is the InChIKey of 2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid?
The InChIKey is LPSHDNFMNYPEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15(21(26)27)29-20-9-5-2-6-16(20)14-24-12-10-17(11-13-24)25-19-8-4-3-7-18(19)23-22(25)28/h2-9,15,17H,10-14H2,1H3,(H,23,28)(H,26,27).
What are the key properties of 2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid?
2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid has a molecular weight of 395.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid is sourced from PubChem (CID 131935846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).