1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid

C17H21N3O3 — CID 122117922

IUPAC1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)CCn2cnc3ccccc32)C1
InChIInChI=1S/C17H21N3O3/c1-12-8-13(17(22)23)10-20(9-12)16(21)6-7-19-11-18-14-4-2-3-5-15(14)19/h2-5,11-13H,6-10H2,1H3,(H,22,23)
InChIKeySYVBPDVBMIIIDU-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.00
Rot. Bonds4

About 1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid

1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122117922) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122117922
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)CCn2cnc3ccccc32)C1
InChIInChI=1S/C17H21N3O3/c1-12-8-13(17(22)23)10-20(9-12)16(21)6-7-19-11-18-14-4-2-3-5-15(14)19/h2-5,11-13H,6-10H2,1H3,(H,22,23)
InChIKeySYVBPDVBMIIIDU-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(benzimidazol-1-yl)propanoyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 110107405
3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918787
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119410362
5-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-3-carboxylic acid
CID 122119008
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119484326
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2436915
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 5031162
3-(benzimidazol-1-yl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one
CID 56868754
N-[(3S,4R)-1-[3-(benzimidazol-1-yl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70718778
3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 45227213
3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 40708470
1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001859

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid (CID 122117922) is 1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)CCn2cnc3ccccc32)C1.
What is the InChIKey of 1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is SYVBPDVBMIIIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-8-13(17(22)23)10-20(9-12)16(21)6-7-19-11-18-14-4-2-3-5-15(14)19/h2-5,11-13H,6-10H2,1H3,(H,22,23).
What are the key properties of 1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid?
1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzimidazol-1-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122117922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).