1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one

C12H21N3O — CID 105480953

IUPAC1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one
SMILESO=C1NCC2CCCC2N1C1CCNCC1
InChIInChI=1S/C12H21N3O/c16-12-14-8-9-2-1-3-11(9)15(12)10-4-6-13-7-5-10/h9-11,13H,1-8H2,(H,14,16)
InChIKeyDVVOPMRKQJVPMM-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.93
Rot. Bonds1

About 1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one

1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one (PubChem CID 105480953) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one
PubChem CID105480953
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one
SMILESO=C1NCC2CCCC2N1C1CCNCC1
InChIInChI=1S/C12H21N3O/c16-12-14-8-9-2-1-3-11(9)15(12)10-4-6-13-7-5-10/h9-11,13H,1-8H2,(H,14,16)
InChIKeyDVVOPMRKQJVPMM-UHFFFAOYSA-N
XLogP0.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one 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-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one?
The IUPAC name of 1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one (CID 105480953) is 1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one is O=C1NCC2CCCC2N1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one?
The InChIKey is DVVOPMRKQJVPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c16-12-14-8-9-2-1-3-11(9)15(12)10-4-6-13-7-5-10/h9-11,13H,1-8H2,(H,14,16).
What are the key properties of 1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one?
1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 105480953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).