4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide

C30H43N3O3 — CID 67394253

IUPAC4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide
SMILESCn1c(=O)c(CN(CC2(N3CCCCC3)CCCCC2)C(=O)C2CCC(O)CC2)cc2ccccc21
InChIInChI=1S/C30H43N3O3/c1-31-27-11-5-4-10-24(27)20-25(28(31)35)21-32(29(36)23-12-14-26(34)15-13-23)22-30(16-6-2-7-17-30)33-18-8-3-9-19-33/h4-5,10-11,20,23,26,34H,2-3,6-9,12-19,21-22H2,1H3
InChIKeyYVMCDVVFIXYADO-UHFFFAOYSA-N
MW493.69 g/mol
LogP4.61
Rot. Bonds6

About 4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide

4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide (PubChem CID 67394253) has the molecular formula C30H43N3O3 and a molecular weight of 493.69 g/mol. Its IUPAC name is 4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide
PubChem CID67394253
Molecular FormulaC30H43N3O3
Molecular Weight493.69 g/mol
Exact Mass493.33
IUPAC Name4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide
SMILESCn1c(=O)c(CN(CC2(N3CCCCC3)CCCCC2)C(=O)C2CCC(O)CC2)cc2ccccc21
InChIInChI=1S/C30H43N3O3/c1-31-27-11-5-4-10-24(27)20-25(28(31)35)21-32(29(36)23-12-14-26(34)15-13-23)22-30(16-6-2-7-17-30)33-18-8-3-9-19-33/h4-5,10-11,20,23,26,34H,2-3,6-9,12-19,21-22H2,1H3
InChIKeyYVMCDVVFIXYADO-UHFFFAOYSA-N
XLogP4.61
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.69
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide (CID 67394253) is 4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide is Cn1c(=O)c(CN(CC2(N3CCCCC3)CCCCC2)C(=O)C2CCC(O)CC2)cc2ccccc21.
What is the InChIKey of 4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is YVMCDVVFIXYADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O3/c1-31-27-11-5-4-10-24(27)20-25(28(31)35)21-32(29(36)23-12-14-26(34)15-13-23)22-30(16-6-2-7-17-30)33-18-8-3-9-19-33/h4-5,10-11,20,23,26,34H,2-3,6-9,12-19,21-22H2,1H3.
What are the key properties of 4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide?
4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 493.69 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 67394253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).