2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide

C24H28N4O2S — CID 10478197

IUPAC2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide
SMILESO=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1csc(-c2ccncn2)c1
InChIInChI=1S/C24H28N4O2S/c29-24(28-20-15-23(31-16-20)22-8-11-26-17-27-22)14-19-3-1-5-21(13-19)30-12-2-4-18-6-9-25-10-7-18/h1,3,5,8,11,13,15-18,25H,2,4,6-7,9-10,12,14H2,(H,28,29)
InChIKeyFEHOYYFVVQCLPF-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.54
Rot. Bonds9

About 2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide

2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide (PubChem CID 10478197) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide
PubChem CID10478197
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide
SMILESO=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1csc(-c2ccncn2)c1
InChIInChI=1S/C24H28N4O2S/c29-24(28-20-15-23(31-16-20)22-8-11-26-17-27-22)14-19-3-1-5-21(13-19)30-12-2-4-18-6-9-25-10-7-18/h1,3,5,8,11,13,15-18,25H,2,4,6-7,9-10,12,14H2,(H,28,29)
InChIKeyFEHOYYFVVQCLPF-UHFFFAOYSA-N
XLogP4.54
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Methoxyphenyl)-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 4803142
N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832012
2-{3-[3-(Piperidin-4-Yl)propoxy]phenyl}-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 60097413
2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 24829572
2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
CID 24829746
2-(3-methoxyphenyl)-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide
CID 60097359
2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 60097393
2-[3-(3-morpholin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 60097457
2-[3-(2-piperazin-1-ylethoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 60097461
2-[3-(2-morpholin-4-ylethoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 60097467
2-(3-(3-(n-Methyl-piperidin-4-yl)-propoxy)-phenyl)-n-(4-pyridin-4-yl-thiazol-2-yl)-acetamide
CID 60097469
2-[3-(3-Piperazin-1-yl-propoxy)-phenyl]-n-(4-pyridin-4-yl-thiazol-2-yl)-acetamide
CID 60097495

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide?
The IUPAC name of 2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide (CID 10478197) is 2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide.
What is the SMILES notation for 2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide?
The canonical SMILES for 2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide is O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1csc(-c2ccncn2)c1.
What is the InChIKey of 2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide?
The InChIKey is FEHOYYFVVQCLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c29-24(28-20-15-23(31-16-20)22-8-11-26-17-27-22)14-19-3-1-5-21(13-19)30-12-2-4-18-6-9-25-10-7-18/h1,3,5,8,11,13,15-18,25H,2,4,6-7,9-10,12,14H2,(H,28,29).
What are the key properties of 2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide?
2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide has a molecular weight of 436.58 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(5-pyrimidin-4-ylthiophen-3-yl)acetamide is sourced from PubChem (CID 10478197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).