3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid

C17H21N3O3 — CID 164641999

IUPAC3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid
SMILESCn1cnc2cc(C(=O)N3CCCC[C@@H]3CCC(=O)O)ccc21
InChIInChI=1S/C17H21N3O3/c1-19-11-18-14-10-12(5-7-15(14)19)17(23)20-9-3-2-4-13(20)6-8-16(21)22/h5,7,10-11,13H,2-4,6,8-9H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyUETDTTSPAQUOTH-CYBMUJFWSA-N
MW315.37 g/mol
LogP2.43
Rot. Bonds4

About 3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid

3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 164641999) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID164641999
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid
SMILESCn1cnc2cc(C(=O)N3CCCC[C@@H]3CCC(=O)O)ccc21
InChIInChI=1S/C17H21N3O3/c1-19-11-18-14-10-12(5-7-15(14)19)17(23)20-9-3-2-4-13(20)6-8-16(21)22/h5,7,10-11,13H,2-4,6,8-9H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyUETDTTSPAQUOTH-CYBMUJFWSA-N
XLogP2.43
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propanoic acid
CID 62216098
[2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136545306
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 129369081
3-[1-(3-bromo-4-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 81458499
7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 97144465
3-[1-(3-bromo-4-chlorobenzoyl)piperidin-2-yl]propanoic acid
CID 107997829
3-[(2S)-1-(3-fluoro-4-methoxybenzoyl)piperidin-2-yl]propanoic acid
CID 124688675
3-[(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-2-yl]propanoic acid
CID 124688643
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
CID 124701383
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 120536705

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid (CID 164641999) is 3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid is Cn1cnc2cc(C(=O)N3CCCC[C@@H]3CCC(=O)O)ccc21.
What is the InChIKey of 3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is UETDTTSPAQUOTH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-19-11-18-14-10-12(5-7-15(14)19)17(23)20-9-3-2-4-13(20)6-8-16(21)22/h5,7,10-11,13H,2-4,6,8-9H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of 3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid?
3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 315.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 164641999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).