4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide

C20H31N3O2S — CID 120645765

IUPAC4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2cccc(CN3CCSCC3)c2C)CCNCC1
InChIInChI=1S/C20H31N3O2S/c1-16-17(14-23-10-12-26-13-11-23)4-3-5-18(16)22-19(24)20(15-25-2)6-8-21-9-7-20/h3-5,21H,6-15H2,1-2H3,(H,22,24)
InChIKeyBJGVKNZHHDZNCR-UHFFFAOYSA-N
MW377.55 g/mol
LogP2.50
Rot. Bonds6

About 4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide (PubChem CID 120645765) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
PubChem CID120645765
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC Name4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2cccc(CN3CCSCC3)c2C)CCNCC1
InChIInChI=1S/C20H31N3O2S/c1-16-17(14-23-10-12-26-13-11-23)4-3-5-18(16)22-19(24)20(15-25-2)6-8-21-9-7-20/h3-5,21H,6-15H2,1-2H3,(H,22,24)
InChIKeyBJGVKNZHHDZNCR-UHFFFAOYSA-N
XLogP2.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 119870105
4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120645739
2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119870115
1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119870109
N-(3-benzamido-2-methylphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624537
2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119870046
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 49065284
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120645726
N-(2,3-difluorophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620409
4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 120641523
2-(2-methylphenyl)sulfanyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 47086736
2-amino-3-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119870106

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide (CID 120645765) is 4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide is COCC1(C(=O)Nc2cccc(CN3CCSCC3)c2C)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is BJGVKNZHHDZNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-16-17(14-23-10-12-26-13-11-23)4-3-5-18(16)22-19(24)20(15-25-2)6-8-21-9-7-20/h3-5,21H,6-15H2,1-2H3,(H,22,24).
What are the key properties of 4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 377.55 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120645765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).