N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide

C19H30N2O4S — CID 120635543

IUPACN-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide
SMILESCOCC1(C(=O)N(C)Cc2cc(OC)c(OC)cc2SC)CCNCC1
InChIInChI=1S/C19H30N2O4S/c1-21(18(22)19(13-23-2)6-8-20-9-7-19)12-14-10-15(24-3)16(25-4)11-17(14)26-5/h10-11,20H,6-9,12-13H2,1-5H3
InChIKeyLUWHHMGSGMQRIQ-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.40
Rot. Bonds8

About N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide

N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide (PubChem CID 120635543) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide
PubChem CID120635543
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC NameN-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide
SMILESCOCC1(C(=O)N(C)Cc2cc(OC)c(OC)cc2SC)CCNCC1
InChIInChI=1S/C19H30N2O4S/c1-21(18(22)19(13-23-2)6-8-20-9-7-19)12-14-10-15(24-3)16(25-4)11-17(14)26-5/h10-11,20H,6-9,12-13H2,1-5H3
InChIKeyLUWHHMGSGMQRIQ-UHFFFAOYSA-N
XLogP2.40
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120625054
4-ethyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 63128870
2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 114042027
4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120617386
4-(methoxymethyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120623439
4-amino-N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methylbutanamide
CID 119333284
N-(2,2-dimethylpropyl)-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120624655
(2S)-2-amino-N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N,4-dimethylpentanamide
CID 119800637
(2R,3S)-N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120934675
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119800612
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119800610
N-cyclopropyl-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120622234

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide (CID 120635543) is N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide is COCC1(C(=O)N(C)Cc2cc(OC)c(OC)cc2SC)CCNCC1.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is LUWHHMGSGMQRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-21(18(22)19(13-23-2)6-8-20-9-7-19)12-14-10-15(24-3)16(25-4)11-17(14)26-5/h10-11,20H,6-9,12-13H2,1-5H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide?
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120635543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).