N-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide

C23H42N2O5 — CID 164604503

IUPACN-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCOCC1CCCN(C(=O)C(NC(=O)C(C)C)C(C)OCC2CCC(OC)CC2)C1
InChIInChI=1S/C23H42N2O5/c1-16(2)22(26)24-21(23(27)25-12-6-7-19(13-25)14-28-4)17(3)30-15-18-8-10-20(29-5)11-9-18/h16-21H,6-15H2,1-5H3,(H,24,26)
InChIKeyUZFIRSSIHMTDKP-UHFFFAOYSA-N
MW426.60 g/mol
LogP2.62
Rot. Bonds10

About N-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide

N-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide (PubChem CID 164604503) has the molecular formula C23H42N2O5 and a molecular weight of 426.60 g/mol. Its IUPAC name is N-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide
PubChem CID164604503
Molecular FormulaC23H42N2O5
Molecular Weight426.60 g/mol
Exact Mass426.31
IUPAC NameN-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCOCC1CCCN(C(=O)C(NC(=O)C(C)C)C(C)OCC2CCC(OC)CC2)C1
InChIInChI=1S/C23H42N2O5/c1-16(2)22(26)24-21(23(27)25-12-6-7-19(13-25)14-28-4)17(3)30-15-18-8-10-20(29-5)11-9-18/h16-21H,6-15H2,1-5H3,(H,24,26)
InChIKeyUZFIRSSIHMTDKP-UHFFFAOYSA-N
XLogP2.62
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.60
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide (CID 164604503) is N-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide is COCC1CCCN(C(=O)C(NC(=O)C(C)C)C(C)OCC2CCC(OC)CC2)C1.
What is the InChIKey of N-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide?
The InChIKey is UZFIRSSIHMTDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O5/c1-16(2)22(26)24-21(23(27)25-12-6-7-19(13-25)14-28-4)17(3)30-15-18-8-10-20(29-5)11-9-18/h16-21H,6-15H2,1-5H3,(H,24,26).
What are the key properties of N-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide?
N-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide has a molecular weight of 426.60 g/mol, XLogP of 2.62, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxycyclohexyl)methoxy]-1-[3-(methoxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 164604503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).