4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid

C19H27N3O2 — CID 119958693

IUPAC4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid
SMILESCC(C)n1c(C2CCCN(CCCC(=O)O)C2)nc2ccccc21
InChIInChI=1S/C19H27N3O2/c1-14(2)22-17-9-4-3-8-16(17)20-19(22)15-7-5-11-21(13-15)12-6-10-18(23)24/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,23,24)
InChIKeyWBPYOVOFSJMQMF-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.66
Rot. Bonds6

About 4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid

4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid (PubChem CID 119958693) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid
PubChem CID119958693
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid
SMILESCC(C)n1c(C2CCCN(CCCC(=O)O)C2)nc2ccccc21
InChIInChI=1S/C19H27N3O2/c1-14(2)22-17-9-4-3-8-16(17)20-19(22)15-7-5-11-21(13-15)12-6-10-18(23)24/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,23,24)
InChIKeyWBPYOVOFSJMQMF-UHFFFAOYSA-N
XLogP3.66
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 95321353
2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 120704503
ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 144939729
(2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 119887256
(2R)-2-methylsulfanyl-1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 95348209
N-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 86951949
2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46976995
2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119887263
4-(3-phenylpiperidin-1-yl)butanoic acid
CID 156599277
cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 102559687
[(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 119887232
(5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 154844185

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid (CID 119958693) is 4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid is CC(C)n1c(C2CCCN(CCCC(=O)O)C2)nc2ccccc21.
What is the InChIKey of 4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid?
The InChIKey is WBPYOVOFSJMQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)22-17-9-4-3-8-16(17)20-19(22)15-7-5-11-21(13-15)12-6-10-18(23)24/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,23,24).
What are the key properties of 4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid?
4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid has a molecular weight of 329.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 119958693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).