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

C17H27N5O2S — CID 20958302

IUPACN-(2-methylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(c2nnc(N3CCCCC3=O)s2)C1
InChIInChI=1S/C17H27N5O2S/c1-12(2)10-18-15(24)13-6-5-8-21(11-13)16-19-20-17(25-16)22-9-4-3-7-14(22)23/h12-13H,3-11H2,1-2H3,(H,18,24)
InChIKeyKBSJLEZNVUITLX-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.04
Rot. Bonds5

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

N-(2-methylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 20958302) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
PubChem CID20958302
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC NameN-(2-methylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(c2nnc(N3CCCCC3=O)s2)C1
InChIInChI=1S/C17H27N5O2S/c1-12(2)10-18-15(24)13-6-5-8-21(11-13)16-19-20-17(25-16)22-9-4-3-7-14(22)23/h12-13H,3-11H2,1-2H3,(H,18,24)
InChIKeyKBSJLEZNVUITLX-UHFFFAOYSA-N
XLogP2.04
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (CID 20958302) is N-(2-methylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is CC(C)CNC(=O)C1CCCN(c2nnc(N3CCCCC3=O)s2)C1.
What is the InChIKey of N-(2-methylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is KBSJLEZNVUITLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-12(2)10-18-15(24)13-6-5-8-21(11-13)16-19-20-17(25-16)22-9-4-3-7-14(22)23/h12-13H,3-11H2,1-2H3,(H,18,24).
What are the key properties of N-(2-methylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
N-(2-methylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 20958302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).