N-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

C18H31N5O2S — CID 56865277

IUPACN-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(Cc3snnc3C)CC2)C1
InChIInChI=1S/C18H31N5O2S/c1-14-17(26-21-20-14)13-22-9-5-16(6-10-22)23-8-3-4-15(12-23)18(24)19-7-11-25-2/h15-16H,3-13H2,1-2H3,(H,19,24)
InChIKeyXEWQACYTEOGOQE-UHFFFAOYSA-N
MW381.55 g/mol
LogP1.29
Rot. Bonds7

About N-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

N-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56865277) has the molecular formula C18H31N5O2S and a molecular weight of 381.55 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56865277
Molecular FormulaC18H31N5O2S
Molecular Weight381.55 g/mol
Exact Mass381.22
IUPAC NameN-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(Cc3snnc3C)CC2)C1
InChIInChI=1S/C18H31N5O2S/c1-14-17(26-21-20-14)13-22-9-5-16(6-10-22)23-8-3-4-15(12-23)18(24)19-7-11-25-2/h15-16H,3-13H2,1-2H3,(H,19,24)
InChIKeyXEWQACYTEOGOQE-UHFFFAOYSA-N
XLogP1.29
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (CID 56865277) is N-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is COCCNC(=O)C1CCCN(C2CCN(Cc3snnc3C)CC2)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is XEWQACYTEOGOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2S/c1-14-17(26-21-20-14)13-22-9-5-16(6-10-22)23-8-3-4-15(12-23)18(24)19-7-11-25-2/h15-16H,3-13H2,1-2H3,(H,19,24).
What are the key properties of N-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
N-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 381.55 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-[(4-methylthiadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56865277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).