3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

C25H30N4O2S — CID 138756603

IUPAC3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCNC3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C25H30N4O2S/c1-31-22-9-7-20(8-10-22)23-18-32-25(27-23)28-24(30)11-14-26-21-12-15-29(16-13-21)17-19-5-3-2-4-6-19/h2-10,18,21,26H,11-17H2,1H3,(H,27,28,30)
InChIKeyBPFOUSHPKWHBEZ-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.40
Rot. Bonds9

About 3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 138756603) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is 3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID138756603
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC Name3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCNC3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C25H30N4O2S/c1-31-22-9-7-20(8-10-22)23-18-32-25(27-23)28-24(30)11-14-26-21-12-15-29(16-13-21)17-19-5-3-2-4-6-19/h2-10,18,21,26H,11-17H2,1H3,(H,27,28,30)
InChIKeyBPFOUSHPKWHBEZ-UHFFFAOYSA-N
XLogP4.40
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22198171
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 2090742
2-(4-benzylpiperazin-1-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22198175
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4782945
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3971135
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-phenylacetamide
CID 3502964
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19226097
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324837
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylphenoxy)acetamide
CID 7948013
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 17301740

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 138756603) is 3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(-c2csc(NC(=O)CCNC3CCN(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is BPFOUSHPKWHBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-31-22-9-7-20(8-10-22)23-18-32-25(27-23)28-24(30)11-14-26-21-12-15-29(16-13-21)17-19-5-3-2-4-6-19/h2-10,18,21,26H,11-17H2,1H3,(H,27,28,30).
What are the key properties of 3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 450.61 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidin-4-yl)amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 138756603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).