2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C18H26N6O2S — CID 20892937

IUPAC2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCN1CCN(C(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)CC1
InChIInChI=1S/C18H26N6O2S/c1-3-21-8-10-22(11-9-21)16(26)14-4-6-23(7-5-14)18-20-24-15(25)12-13(2)19-17(24)27-18/h12,14H,3-11H2,1-2H3
InChIKeyHRDVKIBSYLKDBM-UHFFFAOYSA-N
MW390.51 g/mol
LogP0.84
Rot. Bonds3

About 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20892937) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID20892937
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCN1CCN(C(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)CC1
InChIInChI=1S/C18H26N6O2S/c1-3-21-8-10-22(11-9-21)16(26)14-4-6-23(7-5-14)18-20-24-15(25)12-13(2)19-17(24)27-18/h12,14H,3-11H2,1-2H3
InChIKeyHRDVKIBSYLKDBM-UHFFFAOYSA-N
XLogP0.84
TPSA74.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-methyl-2-{4-[(4-methylpiperazin-1-yl)carbonyl]piperidin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 3241629
7-methyl-2-{3-[(4-methylpiperazin-1-yl)carbonyl]piperidin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 3242405
Ethyl 1-[1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 20892933
7-Methyl-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 6623470
1-{7-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}-N-propylpiperidine-4-carboxamide
CID 6623667
7-Propyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-YL]-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-5-one
CID 20893407
Ethyl 4-(1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-3-carbonyl)piperazine-1-carboxylate
CID 46261627
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 6620243
2-[4-(Azepane-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 18147147
7-Methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 18209038
7-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20892935
2-[4-(3,5-Dimethylpiperidine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20892936

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20892937) is 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCN1CCN(C(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)CC1.
What is the InChIKey of 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HRDVKIBSYLKDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-3-21-8-10-22(11-9-21)16(26)14-4-6-23(7-5-14)18-20-24-15(25)12-13(2)19-17(24)27-18/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 390.51 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20892937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).