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

C19H29N3O2S — CID 119870105

IUPAC4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(CN3CCSCC3)c2C)CCNCC1
InChIInChI=1S/C19H29N3O2S/c1-15-16(14-22-10-12-25-13-11-22)4-3-5-17(15)21-18(23)19(24-2)6-8-20-9-7-19/h3-5,20H,6-14H2,1-2H3,(H,21,23)
InChIKeyLLBRBCPJEKJAJH-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.25
Rot. Bonds5

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

4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide (PubChem CID 119870105) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
PubChem CID119870105
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(CN3CCSCC3)c2C)CCNCC1
InChIInChI=1S/C19H29N3O2S/c1-15-16(14-22-10-12-25-13-11-22)4-3-5-17(15)21-18(23)19(24-2)6-8-20-9-7-19/h3-5,20H,6-14H2,1-2H3,(H,21,23)
InChIKeyLLBRBCPJEKJAJH-UHFFFAOYSA-N
XLogP2.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120645765
1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119870109
2-(2-methoxyethylamino)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119870115
2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119870046
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-2-carboxamide
CID 119870111
4-[[2-methyl-3-(thiomorpholin-4-ylmethyl)anilino]methyl]benzoic acid
CID 122029757
2-amino-3-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119870106
(E)-3-(3-methoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 49008882
3,4-dimethyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49008896
4-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]thiophene-3-carboxamide
CID 122146673
2-(4-chlorophenoxy)-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 60604722
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 49065284

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide (CID 119870105) is 4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide is COC1(C(=O)Nc2cccc(CN3CCSCC3)c2C)CCNCC1.
What is the InChIKey of 4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is LLBRBCPJEKJAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-15-16(14-22-10-12-25-13-11-22)4-3-5-17(15)21-18(23)19(24-2)6-8-20-9-7-19/h3-5,20H,6-14H2,1-2H3,(H,21,23).
What are the key properties of 4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide?
4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 363.53 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119870105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).