N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride

C18H27ClN2O3S — CID 120892025

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride
SMILESCOCC1(CNC(=O)CSCC(=O)c2ccccc2)CCNCC1.Cl
InChIInChI=1S/C18H26N2O3S.ClH/c1-23-14-18(7-9-19-10-8-18)13-20-17(22)12-24-11-16(21)15-5-3-2-4-6-15;/h2-6,19H,7-14H2,1H3,(H,20,22);1H
InChIKeyHNRCMXOTMAKOCE-UHFFFAOYSA-N
MW386.95 g/mol
LogP2.16
Rot. Bonds9

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride (PubChem CID 120892025) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride
PubChem CID120892025
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride
SMILESCOCC1(CNC(=O)CSCC(=O)c2ccccc2)CCNCC1.Cl
InChIInChI=1S/C18H26N2O3S.ClH/c1-23-14-18(7-9-19-10-8-18)13-20-17(22)12-24-11-16(21)15-5-3-2-4-6-15;/h2-6,19H,7-14H2,1H3,(H,20,22);1H
InChIKeyHNRCMXOTMAKOCE-UHFFFAOYSA-N
XLogP2.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993
4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120890290
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 120888645
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 120887299
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 120889270
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide
CID 120888204
2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 120888865
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120891250
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride (CID 120892025) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride is COCC1(CNC(=O)CSCC(=O)c2ccccc2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride?
The InChIKey is HNRCMXOTMAKOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S.ClH/c1-23-14-18(7-9-19-10-8-18)13-20-17(22)12-24-11-16(21)15-5-3-2-4-6-15;/h2-6,19H,7-14H2,1H3,(H,20,22);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride has a molecular weight of 386.95 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride is sourced from PubChem (CID 120892025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).