N-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide

C20H29N3O2S — CID 46069446

IUPACN-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CC(C(=O)N2CCSCC2)CCC1c1cccc(C)c1
InChIInChI=1S/C20H29N3O2S/c1-3-21-20(25)23-14-17(19(24)22-9-11-26-12-10-22)7-8-18(23)16-6-4-5-15(2)13-16/h4-6,13,17-18H,3,7-12,14H2,1-2H3,(H,21,25)
InChIKeyGGUIRYYMJDBEFO-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.05
Rot. Bonds3

About N-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide

N-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide (PubChem CID 46069446) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide
PubChem CID46069446
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC NameN-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CC(C(=O)N2CCSCC2)CCC1c1cccc(C)c1
InChIInChI=1S/C20H29N3O2S/c1-3-21-20(25)23-14-17(19(24)22-9-11-26-12-10-22)7-8-18(23)16-6-4-5-15(2)13-16/h4-6,13,17-18H,3,7-12,14H2,1-2H3,(H,21,25)
InChIKeyGGUIRYYMJDBEFO-UHFFFAOYSA-N
XLogP3.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide?
The IUPAC name of N-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide (CID 46069446) is N-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide is CCNC(=O)N1CC(C(=O)N2CCSCC2)CCC1c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide?
The InChIKey is GGUIRYYMJDBEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-3-21-20(25)23-14-17(19(24)22-9-11-26-12-10-22)7-8-18(23)16-6-4-5-15(2)13-16/h4-6,13,17-18H,3,7-12,14H2,1-2H3,(H,21,25).
What are the key properties of N-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide?
N-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide has a molecular weight of 375.54 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylphenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 46069446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).