1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide

C15H26N4OS — CID 72863721

IUPAC1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1nnsc1CNC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C15H26N4OS/c1-10(2)14-13(21-18-17-14)9-16-15(20)12-5-7-19(8-6-12)11(3)4/h10-12H,5-9H2,1-4H3,(H,16,20)
InChIKeyQITFMOJPWWZNSJ-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.40
Rot. Bonds5

About 1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide

1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 72863721) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID72863721
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1nnsc1CNC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C15H26N4OS/c1-10(2)14-13(21-18-17-14)9-16-15(20)12-5-7-19(8-6-12)11(3)4/h10-12H,5-9H2,1-4H3,(H,16,20)
InChIKeyQITFMOJPWWZNSJ-UHFFFAOYSA-N
XLogP2.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 72863721) is 1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide is CC(C)c1nnsc1CNC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is QITFMOJPWWZNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-10(2)14-13(21-18-17-14)9-16-15(20)12-5-7-19(8-6-12)11(3)4/h10-12H,5-9H2,1-4H3,(H,16,20).
What are the key properties of 1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72863721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).