N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide

C18H24N4OS — CID 95274228

IUPACN-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide
SMILESCCCN(C(=O)c1cnns1)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H24N4OS/c1-2-10-22(18(23)17-12-19-20-24-17)16-9-6-11-21(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,12,16H,2,6,9-11,13-14H2,1H3/t16-/m1/s1
InChIKeyHZEDAVHLVBLLBC-MRXNPFEDSA-N
MW344.48 g/mol
LogP3.05
Rot. Bonds6

About N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide

N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide (PubChem CID 95274228) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide
PubChem CID95274228
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide
SMILESCCCN(C(=O)c1cnns1)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H24N4OS/c1-2-10-22(18(23)17-12-19-20-24-17)16-9-6-11-21(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,12,16H,2,6,9-11,13-14H2,1H3/t16-/m1/s1
InChIKeyHZEDAVHLVBLLBC-MRXNPFEDSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-benzylpiperidin-3-yl]-3-methyl-N-propyltriazole-4-carboxamide
CID 129432508
2-(aminomethyl)-N-(1-benzylpiperidin-3-yl)-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119857615
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 52511574
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide
CID 119857600
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 95284465
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
N-(1-benzylpiperidin-3-yl)-1-(furan-3-carbonyl)-N-propylpiperidine-4-carboxamide
CID 51132454
N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
CID 66565091
2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
N'-[(3S)-1-benzylpiperidin-3-yl]-N'-propan-2-ylethane-1,2-diamine
CID 66565104
N-(1-benzylpiperidin-3-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 75510961

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide (CID 95274228) is N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide is CCCN(C(=O)c1cnns1)[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide?
The InChIKey is HZEDAVHLVBLLBC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-2-10-22(18(23)17-12-19-20-24-17)16-9-6-11-21(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,12,16H,2,6,9-11,13-14H2,1H3/t16-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide?
N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpiperidin-3-yl]-N-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 95274228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).