3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide

C18H27N3O2S — CID 56801108

IUPAC3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide
SMILESCOC1CCCN(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)C1
InChIInChI=1S/C18H27N3O2S/c1-14-12-15(5-6-17(14)20-8-10-24-11-9-20)19-18(22)21-7-3-4-16(13-21)23-2/h5-6,12,16H,3-4,7-11,13H2,1-2H3,(H,19,22)
InChIKeyMKIATFJZYCPGPX-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.19
Rot. Bonds3

About 3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide

3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide (PubChem CID 56801108) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide
PubChem CID56801108
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide
SMILESCOC1CCCN(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)C1
InChIInChI=1S/C18H27N3O2S/c1-14-12-15(5-6-17(14)20-8-10-24-11-9-20)19-18(22)21-7-3-4-16(13-21)23-2/h5-6,12,16H,3-4,7-11,13H2,1-2H3,(H,19,22)
InChIKeyMKIATFJZYCPGPX-UHFFFAOYSA-N
XLogP3.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102962894
N-(4-fluoro-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118763399
(3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide
CID 97270143
(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 124606170
N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118788092
(3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide
CID 125176909
5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide
CID 86876202
3-[(3-chloro-4-pyridinyl)oxy]-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 122256463
2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 102961703
(3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide
CID 99580240
methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate
CID 75369442
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide (CID 56801108) is 3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide is COC1CCCN(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)C1.
What is the InChIKey of 3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide?
The InChIKey is MKIATFJZYCPGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14-12-15(5-6-17(14)20-8-10-24-11-9-20)19-18(22)21-7-3-4-16(13-21)23-2/h5-6,12,16H,3-4,7-11,13H2,1-2H3,(H,19,22).
What are the key properties of 3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide?
3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 56801108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).