N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride

C22H35ClN2O3 — CID 120887528

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
SMILESCOCC1(CNC(=O)CCC(=O)c2ccc(CC(C)C)cc2)CCNCC1.Cl
InChIInChI=1S/C22H34N2O3.ClH/c1-17(2)14-18-4-6-19(7-5-18)20(25)8-9-21(26)24-15-22(16-27-3)10-12-23-13-11-22;/h4-7,17,23H,8-16H2,1-3H3,(H,24,26);1H
InChIKeyXTAIYUFQMSCMHO-UHFFFAOYSA-N
MW410.99 g/mol
LogP3.40
Rot. Bonds10

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride (PubChem CID 120887528) has the molecular formula C22H35ClN2O3 and a molecular weight of 410.99 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
PubChem CID120887528
Molecular FormulaC22H35ClN2O3
Molecular Weight410.99 g/mol
Exact Mass410.23
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
SMILESCOCC1(CNC(=O)CCC(=O)c2ccc(CC(C)C)cc2)CCNCC1.Cl
InChIInChI=1S/C22H34N2O3.ClH/c1-17(2)14-18-4-6-19(7-5-18)20(25)8-9-21(26)24-15-22(16-27-3)10-12-23-13-11-22;/h4-7,17,23H,8-16H2,1-3H3,(H,24,26);1H
InChIKeyXTAIYUFQMSCMHO-UHFFFAOYSA-N
XLogP3.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.99
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride with MolForge

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Related Compounds

4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120891250
4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120890290
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide;hydrochloride
CID 120887634
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypropanamide;hydrochloride
CID 120891438
4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120888912
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride
CID 120892025
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-nitrophenyl)acetamide;hydrochloride
CID 120888032
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide
CID 120891684
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-(2-aminoethyl)-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
CID 119384014

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride (CID 120887528) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride is COCC1(CNC(=O)CCC(=O)c2ccc(CC(C)C)cc2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride?
The InChIKey is XTAIYUFQMSCMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3.ClH/c1-17(2)14-18-4-6-19(7-5-18)20(25)8-9-21(26)24-15-22(16-27-3)10-12-23-13-11-22;/h4-7,17,23H,8-16H2,1-3H3,(H,24,26);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride has a molecular weight of 410.99 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 120887528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).