1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide

C23H33N5O3 — CID 25028963

IUPAC1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCN(CC(=O)N2CCC(C)(C)CC2)CC1
InChIInChI=1S/C23H33N5O3/c1-23(2)8-12-27(13-9-23)20(29)15-26-10-6-17(7-11-26)28-19-5-4-16(21(30)24-3)14-18(19)25-22(28)31/h4-5,14,17H,6-13,15H2,1-3H3,(H,24,30)(H,25,31)
InChIKeyYCQZRIYINLPYJF-UHFFFAOYSA-N
MW427.55 g/mol
LogP1.97
Rot. Bonds4

About 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide

1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 25028963) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID25028963
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCN(CC(=O)N2CCC(C)(C)CC2)CC1
InChIInChI=1S/C23H33N5O3/c1-23(2)8-12-27(13-9-23)20(29)15-26-10-6-17(7-11-26)28-19-5-4-16(21(30)24-3)14-18(19)25-22(28)31/h4-5,14,17H,6-13,15H2,1-3H3,(H,24,30)(H,25,31)
InChIKeyYCQZRIYINLPYJF-UHFFFAOYSA-N
XLogP1.97
TPSA90.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 69044726
1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-oxo-3H-benzimidazole-5-carbonitrile
CID 69046598
1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide
CID 69043517
[[amino-[1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-oxo-3H-benzimidazol-5-yl]methylidene]amino] 2-oxopropanoate
CID 90722371
3-[1-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]piperidin-4-yl]-6-methylsulfonyl-1H-benzimidazol-2-one
CID 69270248
1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-fluoro-2-oxo-3H-benzimidazole-5-carboxamide
CID 69273824
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221
3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 56810285
1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 136552219
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 44573689
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide (CID 25028963) is 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide is CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCN(CC(=O)N2CCC(C)(C)CC2)CC1.
What is the InChIKey of 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is YCQZRIYINLPYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-23(2)8-12-27(13-9-23)20(29)15-26-10-6-17(7-11-26)28-19-5-4-16(21(30)24-3)14-18(19)25-22(28)31/h4-5,14,17H,6-13,15H2,1-3H3,(H,24,30)(H,25,31).
What are the key properties of 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 25028963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).