(3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide

C19H28N2O3S — CID 97207631

IUPAC(3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CCC[C@H](C(=O)N(C)CCSc2ccc(C)cc2)C1
InChIInChI=1S/C19H28N2O3S/c1-15-6-8-17(9-7-15)25-12-11-20(2)19(23)16-5-4-10-21(13-16)18(22)14-24-3/h6-9,16H,4-5,10-14H2,1-3H3/t16-/m0/s1
InChIKeyREJDHJNGLQIKTO-INIZCTEOSA-N
MW364.51 g/mol
LogP2.43
Rot. Bonds7

About (3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide

(3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide (PubChem CID 97207631) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is (3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
PubChem CID97207631
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name(3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CCC[C@H](C(=O)N(C)CCSc2ccc(C)cc2)C1
InChIInChI=1S/C19H28N2O3S/c1-15-6-8-17(9-7-15)25-12-11-20(2)19(23)16-5-4-10-21(13-16)18(22)14-24-3/h6-9,16H,4-5,10-14H2,1-3H3/t16-/m0/s1
InChIKeyREJDHJNGLQIKTO-INIZCTEOSA-N
XLogP2.43
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 72927509
1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 72904031
3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide
CID 70730280
3-(4-methylphenyl)sulfanyl-1-(3-methylpiperidin-1-yl)propan-1-one
CID 17187440
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 77094145
(3S)-1-(2-methoxyacetyl)-N-methyl-N-(quinoxalin-2-ylmethyl)piperidine-3-carboxamide
CID 97208184
N-(2-hydroxyethyl)-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 110900000
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 91841910
1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 72923133
1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 119487428

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide (CID 97207631) is (3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide is COCC(=O)N1CCC[C@H](C(=O)N(C)CCSc2ccc(C)cc2)C1.
What is the InChIKey of (3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide?
The InChIKey is REJDHJNGLQIKTO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15-6-8-17(9-7-15)25-12-11-20(2)19(23)16-5-4-10-21(13-16)18(22)14-24-3/h6-9,16H,4-5,10-14H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide?
(3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide has a molecular weight of 364.51 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 97207631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).