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

C18H29N5O2S — CID 20958290

IUPACN-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(c2nnc(N3CCCCC3=O)s2)C1
InChIInChI=1S/C18H29N5O2S/c1-13(2)8-9-19-16(25)14-6-5-10-22(12-14)17-20-21-18(26-17)23-11-4-3-7-15(23)24/h13-14H,3-12H2,1-2H3,(H,19,25)
InChIKeyUOYAMSLFSIBXPE-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.43
Rot. Bonds6

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

N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 20958290) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
PubChem CID20958290
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC NameN-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(c2nnc(N3CCCCC3=O)s2)C1
InChIInChI=1S/C18H29N5O2S/c1-13(2)8-9-19-16(25)14-6-5-10-22(12-14)17-20-21-18(26-17)23-11-4-3-7-15(23)24/h13-14H,3-12H2,1-2H3,(H,19,25)
InChIKeyUOYAMSLFSIBXPE-UHFFFAOYSA-N
XLogP2.43
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (CID 20958290) is N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is CC(C)CCNC(=O)C1CCCN(c2nnc(N3CCCCC3=O)s2)C1.
What is the InChIKey of N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is UOYAMSLFSIBXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-13(2)8-9-19-16(25)14-6-5-10-22(12-14)17-20-21-18(26-17)23-11-4-3-7-15(23)24/h13-14H,3-12H2,1-2H3,(H,19,25).
What are the key properties of N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 20958290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).