N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide

C24H34N4O5 — CID 123890001

IUPACN-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide
SMILESCONC(=O)C1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(OC)cc43)CC2)CC1
InChIInChI=1S/C24H34N4O5/c1-26-20-9-8-19(32-2)14-21(20)28(24(26)31)15-16-4-6-18(7-5-16)23(30)27-12-10-17(11-13-27)22(29)25-33-3/h8-9,14,16-18H,4-7,10-13,15H2,1-3H3,(H,25,29)
InChIKeyCMOQUOPJSFCGFH-UHFFFAOYSA-N
MW458.56 g/mol
LogP2.07
Rot. Bonds6

About N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide

N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide (PubChem CID 123890001) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide
PubChem CID123890001
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC NameN-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide
SMILESCONC(=O)C1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(OC)cc43)CC2)CC1
InChIInChI=1S/C24H34N4O5/c1-26-20-9-8-19(32-2)14-21(20)28(24(26)31)15-16-4-6-18(7-5-16)23(30)27-12-10-17(11-13-27)22(29)25-33-3/h8-9,14,16-18H,4-7,10-13,15H2,1-3H3,(H,25,29)
InChIKeyCMOQUOPJSFCGFH-UHFFFAOYSA-N
XLogP2.07
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-1-methyl-3-[[4-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one
CID 123734059
3-[(4-acetylcyclohexyl)methyl]-5-methoxy-1-methylbenzimidazol-2-one
CID 70819195
3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethoxy)-1-methylbenzimidazol-2-one
CID 66556471
N-(2-chloro-4-pyridinyl)-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
CID 123754377
N-(1,2-dimethylbenzimidazol-5-yl)-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
CID 66554764
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
CID 66554593
N-(1-benzothiophen-6-yl)-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
CID 66557154
4-[[6-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]methyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 66555968
3-[(4-acetylcyclohexyl)methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-3-pyridin-4-ylpropane-1,3-dione
CID 162266018
3-[[4-[[(6-chloropyrazin-2-yl)amino]-hydroxymethyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one
CID 123492958
4-[[6-(4,4-difluorobut-3-enoxy)-3-methyl-2-oxobenzimidazol-1-yl]methyl]-N-phenylcyclohexane-1-carboxamide
CID 160798164
1-(cyclopropanecarbonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 46692059

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide?
The IUPAC name of N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide (CID 123890001) is N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide is CONC(=O)C1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(OC)cc43)CC2)CC1.
What is the InChIKey of N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide?
The InChIKey is CMOQUOPJSFCGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5/c1-26-20-9-8-19(32-2)14-21(20)28(24(26)31)15-16-4-6-18(7-5-16)23(30)27-12-10-17(11-13-27)22(29)25-33-3/h8-9,14,16-18H,4-7,10-13,15H2,1-3H3,(H,25,29).
What are the key properties of N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide?
N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 123890001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).