4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide

C16H26N4O2S — CID 941330

IUPAC4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)N2CCCC[C@H]2C)s1
InChIInChI=1S/C16H26N4O2S/c1-11(2)10-14-18-19-16(23-14)17-13(21)7-8-15(22)20-9-5-4-6-12(20)3/h11-12H,4-10H2,1-3H3,(H,17,19,21)/t12-/m1/s1
InChIKeyRNSJWGMGUKJDAL-GFCCVEGCSA-N
MW338.48 g/mol
LogP2.86
Rot. Bonds6

About 4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide

4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide (PubChem CID 941330) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
PubChem CID941330
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)N2CCCC[C@H]2C)s1
InChIInChI=1S/C16H26N4O2S/c1-11(2)10-14-18-19-16(23-14)17-13(21)7-8-15(22)20-9-5-4-6-12(20)3/h11-12H,4-10H2,1-3H3,(H,17,19,21)/t12-/m1/s1
InChIKeyRNSJWGMGUKJDAL-GFCCVEGCSA-N
XLogP2.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide?
The IUPAC name of 4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide (CID 941330) is 4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide.
What is the SMILES notation for 4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide?
The canonical SMILES for 4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide is CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCCC[C@H]2C)s1.
What is the InChIKey of 4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide?
The InChIKey is RNSJWGMGUKJDAL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-11(2)10-14-18-19-16(23-14)17-13(21)7-8-15(22)20-9-5-4-6-12(20)3/h11-12H,4-10H2,1-3H3,(H,17,19,21)/t12-/m1/s1.
What are the key properties of 4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide?
4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide has a molecular weight of 338.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide is sourced from PubChem (CID 941330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).