4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride

C20H31ClN2O3 — CID 120891250

IUPAC4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
SMILESCCc1ccc(C(=O)CCC(=O)NCC2(COC)CCNCC2)cc1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-3-16-4-6-17(7-5-16)18(23)8-9-19(24)22-14-20(15-25-2)10-12-21-13-11-20;/h4-7,21H,3,8-15H2,1-2H3,(H,22,24);1H
InChIKeyDAAGLLUVBOHAEX-UHFFFAOYSA-N
MW382.93 g/mol
LogP2.77
Rot. Bonds9

About 4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride

4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride (PubChem CID 120891250) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
PubChem CID120891250
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC Name4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
SMILESCCc1ccc(C(=O)CCC(=O)NCC2(COC)CCNCC2)cc1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-3-16-4-6-17(7-5-16)18(23)8-9-19(24)22-14-20(15-25-2)10-12-21-13-11-20;/h4-7,21H,3,8-15H2,1-2H3,(H,22,24);1H
InChIKeyDAAGLLUVBOHAEX-UHFFFAOYSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120890290
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
CID 120887528
2-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpropanamide
CID 120891055
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide
CID 120891684
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
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide;hydrochloride
CID 120887634
3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890837
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-nitrophenyl)acetamide
CID 120888033

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride?
The IUPAC name of 4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride (CID 120891250) is 4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride?
The canonical SMILES for 4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride is CCc1ccc(C(=O)CCC(=O)NCC2(COC)CCNCC2)cc1.Cl.
What is the InChIKey of 4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride?
The InChIKey is DAAGLLUVBOHAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.ClH/c1-3-16-4-6-17(7-5-16)18(23)8-9-19(24)22-14-20(15-25-2)10-12-21-13-11-20;/h4-7,21H,3,8-15H2,1-2H3,(H,22,24);1H.
What are the key properties of 4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride?
4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride has a molecular weight of 382.93 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 120891250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).