1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid

C18H21N3O4 — CID 136552219

IUPAC1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CC2)CC1
InChIInChI=1S/C18H21N3O4/c1-18(16(23)24)6-8-20(9-7-18)15(22)11-2-5-14-13(10-11)19-17(25)21(14)12-3-4-12/h2,5,10,12H,3-4,6-9H2,1H3,(H,19,25)(H,23,24)
InChIKeyGNSFNSJPRKUONA-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.99
Rot. Bonds3

About 1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid

1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 136552219) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID136552219
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CC2)CC1
InChIInChI=1S/C18H21N3O4/c1-18(16(23)24)6-8-20(9-7-18)15(22)11-2-5-14-13(10-11)19-17(25)21(14)12-3-4-12/h2,5,10,12H,3-4,6-9H2,1H3,(H,19,25)(H,23,24)
InChIKeyGNSFNSJPRKUONA-UHFFFAOYSA-N
XLogP1.99
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 119074354
6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride
CID 119520393
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 139012625
3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one
CID 119638825
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 119486752
1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 25028963
3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 138993159
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
6-chloro-3-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 53470056
3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 119398391

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid (CID 136552219) is 1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CC2)CC1.
What is the InChIKey of 1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is GNSFNSJPRKUONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-18(16(23)24)6-8-20(9-7-18)15(22)11-2-5-14-13(10-11)19-17(25)21(14)12-3-4-12/h2,5,10,12H,3-4,6-9H2,1H3,(H,19,25)(H,23,24).
What are the key properties of 1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid?
1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 136552219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).