N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide

C24H30N6O2S — CID 20892964

IUPACN-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(=O)n2nc(N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)sc2n1
InChIInChI=1S/C24H30N6O2S/c1-17-15-21(31)30-23(25-17)33-24(27-30)29-13-7-19(8-14-29)22(32)26-20-9-11-28(12-10-20)16-18-5-3-2-4-6-18/h2-6,15,19-20H,7-14,16H2,1H3,(H,26,32)
InChIKeyUUQNRCSKQKYOIK-UHFFFAOYSA-N
MW466.61 g/mol
LogP2.46
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide

N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 20892964) has the molecular formula C24H30N6O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID20892964
Molecular FormulaC24H30N6O2S
Molecular Weight466.61 g/mol
Exact Mass466.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(=O)n2nc(N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)sc2n1
InChIInChI=1S/C24H30N6O2S/c1-17-15-21(31)30-23(25-17)33-24(27-30)29-13-7-19(8-14-29)22(32)26-20-9-11-28(12-10-20)16-18-5-3-2-4-6-18/h2-6,15,19-20H,7-14,16H2,1H3,(H,26,32)
InChIKeyUUQNRCSKQKYOIK-UHFFFAOYSA-N
XLogP2.46
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
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5-N-(1-benzylpiperidin-4-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CID 20892964) is N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is Cc1cc(=O)n2nc(N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)sc2n1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is UUQNRCSKQKYOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2S/c1-17-15-21(31)30-23(25-17)33-24(27-30)29-13-7-19(8-14-29)22(32)26-20-9-11-28(12-10-20)16-18-5-3-2-4-6-18/h2-6,15,19-20H,7-14,16H2,1H3,(H,26,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20892964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).