1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide

C22H31FN4O3 — CID 69276030

IUPAC1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(=O)n(C3CCN(CC(O)C4CCCCC4)CC3)c2cc1F
InChIInChI=1S/C22H31FN4O3/c1-24-21(29)16-11-18-19(12-17(16)23)27(22(30)25-18)15-7-9-26(10-8-15)13-20(28)14-5-3-2-4-6-14/h11-12,14-15,20,28H,2-10,13H2,1H3,(H,24,29)(H,25,30)
InChIKeyZTFVOUGEIOIOPX-UHFFFAOYSA-N
MW418.51 g/mol
LogP2.41
Rot. Bonds5

About 1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide

1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 69276030) has the molecular formula C22H31FN4O3 and a molecular weight of 418.51 g/mol. Its IUPAC name is 1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID69276030
Molecular FormulaC22H31FN4O3
Molecular Weight418.51 g/mol
Exact Mass418.24
IUPAC Name1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(=O)n(C3CCN(CC(O)C4CCCCC4)CC3)c2cc1F
InChIInChI=1S/C22H31FN4O3/c1-24-21(29)16-11-18-19(12-17(16)23)27(22(30)25-18)15-7-9-26(10-8-15)13-20(28)14-5-3-2-4-6-14/h11-12,14-15,20,28H,2-10,13H2,1H3,(H,24,29)(H,25,30)
InChIKeyZTFVOUGEIOIOPX-UHFFFAOYSA-N
XLogP2.41
TPSA90.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

1-[1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-oxoethyl]piperidin-4-yl]-6-fluoro-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 69047290
6-fluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 59846683
1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-fluoro-2-oxo-3H-benzimidazole-5-carboxamide
CID 69273824
ethyl 1-[1-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]piperidin-4-yl]-6-fluoro-2-oxo-3H-benzimidazole-5-carboxylate
CID 69045210
3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552
N-[(2S)-1-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide
CID 44573132
N-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 69044726
5-fluoro-N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1H-indole-2-carboxamide
CID 53470150
4-chloro-N-[(2S)-1-[4-(5-iodo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 53469896
2-methylpropyl 4-(5-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 69128386
1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 25028963
methyl 1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-6-fluoro-2-oxo-3H-benzimidazole-5-carboxylate
CID 59846679

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide (CID 69276030) is 1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide is CNC(=O)c1cc2[nH]c(=O)n(C3CCN(CC(O)C4CCCCC4)CC3)c2cc1F.
What is the InChIKey of 1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is ZTFVOUGEIOIOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O3/c1-24-21(29)16-11-18-19(12-17(16)23)27(22(30)25-18)15-7-9-26(10-8-15)13-20(28)14-5-3-2-4-6-14/h11-12,14-15,20,28H,2-10,13H2,1H3,(H,24,29)(H,25,30).
What are the key properties of 1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 418.51 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclohexyl-2-hydroxyethyl)piperidin-4-yl]-6-fluoro-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 69276030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).