N-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide

C21H33N3O3 — CID 18566898

IUPACN-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NC2CCCCC2)c(CN2CCC(C)CC2)cc1=O
InChIInChI=1S/C21H33N3O3/c1-16-8-10-23(11-9-16)13-18-12-19(25)20(27-2)14-24(18)15-21(26)22-17-6-4-3-5-7-17/h12,14,16-17H,3-11,13,15H2,1-2H3,(H,22,26)
InChIKeyUHNSOHYSIQDMEH-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.54
Rot. Bonds6

About N-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide

N-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide (PubChem CID 18566898) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
PubChem CID18566898
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NC2CCCCC2)c(CN2CCC(C)CC2)cc1=O
InChIInChI=1S/C21H33N3O3/c1-16-8-10-23(11-9-16)13-18-12-19(25)20(27-2)14-24(18)15-21(26)22-17-6-4-3-5-7-17/h12,14,16-17H,3-11,13,15H2,1-2H3,(H,22,26)
InChIKeyUHNSOHYSIQDMEH-UHFFFAOYSA-N
XLogP2.54
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide (CID 18566898) is N-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)NC2CCCCC2)c(CN2CCC(C)CC2)cc1=O.
What is the InChIKey of N-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
The InChIKey is UHNSOHYSIQDMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-16-8-10-23(11-9-16)13-18-12-19(25)20(27-2)14-24(18)15-21(26)22-17-6-4-3-5-7-17/h12,14,16-17H,3-11,13,15H2,1-2H3,(H,22,26).
What are the key properties of N-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
N-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide has a molecular weight of 375.51 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 18566898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).