1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

C16H25N5 — CID 156608413

IUPAC1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESc1nc(N2CCCCC2)ncc1CN1CCC2CNCC21
InChIInChI=1S/C16H25N5/c1-2-5-20(6-3-1)16-18-8-13(9-19-16)12-21-7-4-14-10-17-11-15(14)21/h8-9,14-15,17H,1-7,10-12H2
InChIKeyBXDMKLSMMHYZRU-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.26
Rot. Bonds3

About 1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (PubChem CID 156608413) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
PubChem CID156608413
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESc1nc(N2CCCCC2)ncc1CN1CCC2CNCC21
InChIInChI=1S/C16H25N5/c1-2-5-20(6-3-1)16-18-8-13(9-19-16)12-21-7-4-14-10-17-11-15(14)21/h8-9,14-15,17H,1-7,10-12H2
InChIKeyBXDMKLSMMHYZRU-UHFFFAOYSA-N
XLogP1.26
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of 1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (CID 156608413) is 1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for 1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is c1nc(N2CCCCC2)ncc1CN1CCC2CNCC21.
What is the InChIKey of 1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The InChIKey is BXDMKLSMMHYZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-5-20(6-3-1)16-18-8-13(9-19-16)12-21-7-4-14-10-17-11-15(14)21/h8-9,14-15,17H,1-7,10-12H2.
What are the key properties of 1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole has a molecular weight of 287.41 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 156608413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).