4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide

C16H21N5OS — CID 60547485

IUPAC4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide
SMILESCCC(NC(=O)N1CCN(c2ncccn2)CC1)c1cccs1
InChIInChI=1S/C16H21N5OS/c1-2-13(14-5-3-12-23-14)19-16(22)21-10-8-20(9-11-21)15-17-6-4-7-18-15/h3-7,12-13H,2,8-11H2,1H3,(H,19,22)
InChIKeySZPYNEBJPZWZJF-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.52
Rot. Bonds4

About 4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide

4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide (PubChem CID 60547485) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide
PubChem CID60547485
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide
SMILESCCC(NC(=O)N1CCN(c2ncccn2)CC1)c1cccs1
InChIInChI=1S/C16H21N5OS/c1-2-13(14-5-3-12-23-14)19-16(22)21-10-8-20(9-11-21)15-17-6-4-7-18-15/h3-7,12-13H,2,8-11H2,1H3,(H,19,22)
InChIKeySZPYNEBJPZWZJF-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
CID 124608917
4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 110866230
3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide
CID 126425885
4-[(3,4-difluorophenyl)methyl]-N-[(1S)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
CID 126427672
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 42934794
3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide
CID 55931373
4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 124890430
(2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide
CID 97096465
N-[(1S)-1-thiophen-2-ylpropyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide
CID 126453676
N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 47015071
N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide
CID 92760411

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide (CID 60547485) is 4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide is CCC(NC(=O)N1CCN(c2ncccn2)CC1)c1cccs1.
What is the InChIKey of 4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide?
The InChIKey is SZPYNEBJPZWZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-2-13(14-5-3-12-23-14)19-16(22)21-10-8-20(9-11-21)15-17-6-4-7-18-15/h3-7,12-13H,2,8-11H2,1H3,(H,19,22).
What are the key properties of 4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide?
4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 60547485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).