N-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C24H30N6OS — CID 5307552

IUPACN-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCCN(c2nnc(-n3cccc3)s2)C1
InChIInChI=1S/C24H30N6OS/c31-22(25-21-10-15-28(16-11-21)17-19-7-2-1-3-8-19)20-9-6-14-30(18-20)24-27-26-23(32-24)29-12-4-5-13-29/h1-5,7-8,12-13,20-21H,6,9-11,14-18H2,(H,25,31)
InChIKeyXUSUDJFSKNZGCV-UHFFFAOYSA-N
MW450.61 g/mol
LogP3.33
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 5307552) has the molecular formula C24H30N6OS and a molecular weight of 450.61 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID5307552
Molecular FormulaC24H30N6OS
Molecular Weight450.61 g/mol
Exact Mass450.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCCN(c2nnc(-n3cccc3)s2)C1
InChIInChI=1S/C24H30N6OS/c31-22(25-21-10-15-28(16-11-21)17-19-7-2-1-3-8-19)20-9-6-14-30(18-20)24-27-26-23(32-24)29-12-4-5-13-29/h1-5,7-8,12-13,20-21H,6,9-11,14-18H2,(H,25,31)
InChIKeyXUSUDJFSKNZGCV-UHFFFAOYSA-N
XLogP3.33
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(Phenylmethyl)piperidin-1-Yl]-[1-(5-Pyrrol-1-Yl-1,3,4-Thiadiazol-2-Yl)piperidin-4-Yl]methanone
CID 20926352
N-[(1S,2R)-2-methylcyclohexyl]-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 155515209
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 3244220
N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide
CID 5309189
1-({1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}carbonyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3240265
N-[4-(acetylamino)phenyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 3242409
1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 3410204
N-[(4-Methylphenyl)methyl]-1-{[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazol-4-YL]methyl}piperidine-3-carboxamide
CID 3413456
1-Phenyl-4-{1-[5-(1H-pyrrol-1-YL)-1,3,4-thiadiazol-2-YL]piperidine-3-carbonyl}piperazine
CID 5307215
1-[5-(1H-Pyrrol-1-YL)-1,3,4-thiadiazol-2-YL]-N-(1,2,3,4-tetrahydronaphthalen-1-YL)piperidine-4-carboxamide
CID 5307370
N-(3-phenylpropyl)-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 5307781
N-[2-(N-ethylanilino)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 5308042

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 5307552) is N-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1CCCN(c2nnc(-n3cccc3)s2)C1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is XUSUDJFSKNZGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6OS/c31-22(25-21-10-15-28(16-11-21)17-19-7-2-1-3-8-19)20-9-6-14-30(18-20)24-27-26-23(32-24)29-12-4-5-13-29/h1-5,7-8,12-13,20-21H,6,9-11,14-18H2,(H,25,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 450.61 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 5307552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).