(2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide

C11H18N4OS — CID 125136303

IUPAC(2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCCN1Cc1nnc(C)s1
InChIInChI=1S/C11H18N4OS/c1-8-13-14-10(17-8)7-15-6-4-3-5-9(15)11(16)12-2/h9H,3-7H2,1-2H3,(H,12,16)/t9-/m1/s1
InChIKeyFMVVCDOORZCTSA-SECBINFHSA-N
MW254.36 g/mol
LogP0.95
Rot. Bonds3

About (2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide

(2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide (PubChem CID 125136303) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is (2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide
PubChem CID125136303
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name(2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCCN1Cc1nnc(C)s1
InChIInChI=1S/C11H18N4OS/c1-8-13-14-10(17-8)7-15-6-4-3-5-9(15)11(16)12-2/h9H,3-7H2,1-2H3,(H,12,16)/t9-/m1/s1
InChIKeyFMVVCDOORZCTSA-SECBINFHSA-N
XLogP0.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide (CID 125136303) is (2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide is CNC(=O)[C@H]1CCCCN1Cc1nnc(C)s1.
What is the InChIKey of (2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide?
The InChIKey is FMVVCDOORZCTSA-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8-13-14-10(17-8)7-15-6-4-3-5-9(15)11(16)12-2/h9H,3-7H2,1-2H3,(H,12,16)/t9-/m1/s1.
What are the key properties of (2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide?
(2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 125136303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).