1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide

C25H37N5O2S — CID 4003297

IUPAC1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCOc1cccc(Cc2nsc(N3CCCC(C(=O)NCCCN4CCCCC4C)C3)n2)c1
InChIInChI=1S/C25H37N5O2S/c1-19-8-3-4-13-29(19)15-7-12-26-24(31)21-10-6-14-30(18-21)25-27-23(28-33-25)17-20-9-5-11-22(16-20)32-2/h5,9,11,16,19,21H,3-4,6-8,10,12-15,17-18H2,1-2H3,(H,26,31)
InChIKeyVNTMXSGZWMZXRC-UHFFFAOYSA-N
MW471.67 g/mol
LogP3.73
Rot. Bonds9

About 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide

1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 4003297) has the molecular formula C25H37N5O2S and a molecular weight of 471.67 g/mol. Its IUPAC name is 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID4003297
Molecular FormulaC25H37N5O2S
Molecular Weight471.67 g/mol
Exact Mass471.27
IUPAC Name1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCOc1cccc(Cc2nsc(N3CCCC(C(=O)NCCCN4CCCCC4C)C3)n2)c1
InChIInChI=1S/C25H37N5O2S/c1-19-8-3-4-13-29(19)15-7-12-26-24(31)21-10-6-14-30(18-21)25-27-23(28-33-25)17-20-9-5-11-22(16-20)32-2/h5,9,11,16,19,21H,3-4,6-8,10,12-15,17-18H2,1-2H3,(H,26,31)
InChIKeyVNTMXSGZWMZXRC-UHFFFAOYSA-N
XLogP3.73
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.67
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 4285488
N-cyclohexyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 3993757
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 3666556
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
CID 4654633
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
CID 3543809
1-[4-[1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 3615969
N-[[1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 3923300
(3R)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-pentylpiperidine-3-carboxamide
CID 7499362
(4-ethylpiperazin-1-yl)-[(3S)-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanone
CID 7296386
[1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4255190
1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-propylpiperidine-3-carboxamide
CID 4552243
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 122176299

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide (CID 4003297) is 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide is COc1cccc(Cc2nsc(N3CCCC(C(=O)NCCCN4CCCCC4C)C3)n2)c1.
What is the InChIKey of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is VNTMXSGZWMZXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2S/c1-19-8-3-4-13-29(19)15-7-12-26-24(31)21-10-6-14-30(18-21)25-27-23(28-33-25)17-20-9-5-11-22(16-20)32-2/h5,9,11,16,19,21H,3-4,6-8,10,12-15,17-18H2,1-2H3,(H,26,31).
What are the key properties of 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 471.67 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 4003297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).