4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid

C19H25N3O5 — CID 119251628

IUPAC4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCCCn1c(=O)n(CCC(=O)N2CCC(O)(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C19H25N3O5/c1-2-10-21-14-5-3-4-6-15(14)22(18(21)26)11-7-16(23)20-12-8-19(27,9-13-20)17(24)25/h3-6,27H,2,7-13H2,1H3,(H,24,25)
InChIKeyWUEAVLZPTFYJSM-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.04
Rot. Bonds6

About 4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid

4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 119251628) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid
PubChem CID119251628
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCCCn1c(=O)n(CCC(=O)N2CCC(O)(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C19H25N3O5/c1-2-10-21-14-5-3-4-6-15(14)22(18(21)26)11-7-16(23)20-12-8-19(27,9-13-20)17(24)25/h3-6,27H,2,7-13H2,1H3,(H,24,25)
InChIKeyWUEAVLZPTFYJSM-UHFFFAOYSA-N
XLogP1.04
TPSA104.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119250768
1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
CID 119560953
1-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
CID 119410437
1-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one;hydrochloride
CID 119543880
(3R,4R)-4-cyclopropyl-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 120979025
N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 111331415
N,N-diethyl-4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazine-1-carboxamide
CID 38719285
4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251084
1-ethyl-3-[3-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one
CID 56533669
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55450886
1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251532
N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 86913699

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid (CID 119251628) is 4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid is CCCn1c(=O)n(CCC(=O)N2CCC(O)(C(=O)O)CC2)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is WUEAVLZPTFYJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-2-10-21-14-5-3-4-6-15(14)22(18(21)26)11-7-16(23)20-12-8-19(27,9-13-20)17(24)25/h3-6,27H,2,7-13H2,1H3,(H,24,25).
What are the key properties of 4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 375.43 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119251628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).