4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide

C17H22N6OS — CID 122343979

IUPAC4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(c2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C17H22N6OS/c24-17(20-15-4-3-13-25-15)23-11-9-21(10-12-23)14-5-6-18-16(19-14)22-7-1-2-8-22/h3-6,13H,1-2,7-12H2,(H,20,24)
InChIKeyUIRHHPBGYNHCNN-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.49
Rot. Bonds3

About 4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide

4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 122343979) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID122343979
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(c2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C17H22N6OS/c24-17(20-15-4-3-13-25-15)23-11-9-21(10-12-23)14-5-6-18-16(19-14)22-7-1-2-8-22/h3-6,13H,1-2,7-12H2,(H,20,24)
InChIKeyUIRHHPBGYNHCNN-UHFFFAOYSA-N
XLogP2.49
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921957
N-(2-fluorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920931
N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921370
N-(3-fluorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56923346
N-(2,4-dimethylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921853
4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122344063
N-(2,3-dimethoxyphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122343981
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122344066
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122335991
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122160627

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide (CID 122343979) is 4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide is O=C(Nc1cccs1)N1CCN(c2ccnc(N3CCCC3)n2)CC1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is UIRHHPBGYNHCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c24-17(20-15-4-3-13-25-15)23-11-9-21(10-12-23)14-5-6-18-16(19-14)22-7-1-2-8-22/h3-6,13H,1-2,7-12H2,(H,20,24).
What are the key properties of 4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 122343979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).