N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide

C18H25N5OS — CID 39540383

IUPACN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H25N5OS/c24-17(4-3-16-5-14-25-15-16)19-8-2-9-22-10-12-23(13-11-22)18-20-6-1-7-21-18/h1,5-7,14-15H,2-4,8-13H2,(H,19,24)
InChIKeyAMMLLOPOLNYNGJ-UHFFFAOYSA-N
MW359.50 g/mol
LogP1.80
Rot. Bonds8

About N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide

N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide (PubChem CID 39540383) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide
PubChem CID39540383
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H25N5OS/c24-17(4-3-16-5-14-25-15-16)19-8-2-9-22-10-12-23(13-11-22)18-20-6-1-7-21-18/h1,5-7,14-15H,2-4,8-13H2,(H,19,24)
InChIKeyAMMLLOPOLNYNGJ-UHFFFAOYSA-N
XLogP1.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide
CID 38440769
N-(3-piperazin-1-ylpropyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119390755
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide
CID 111429543
3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;trihydrochloride
CID 119901328
N-(3-phenylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030501
2-methyl-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940892
3-cyclopentyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 39539501
4-(4-ethylphenyl)-4-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 39539883
2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride
CID 120703590
2-(4-fluorophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39540125
2-(4-acetamidophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 31413720
2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39539907

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide (CID 39540383) is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)NCCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide?
The InChIKey is AMMLLOPOLNYNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c24-17(4-3-16-5-14-25-15-16)19-8-2-9-22-10-12-23(13-11-22)18-20-6-1-7-21-18/h1,5-7,14-15H,2-4,8-13H2,(H,19,24).
What are the key properties of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide?
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide has a molecular weight of 359.50 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 39540383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).