1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one

C17H28N4O — CID 166265129

IUPAC1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one
SMILESO=C1CCCCN1C1CCN(C2=NC3CCCCC3N2)CC1
InChIInChI=1S/C17H28N4O/c22-16-7-3-4-10-21(16)13-8-11-20(12-9-13)17-18-14-5-1-2-6-15(14)19-17/h13-15H,1-12H2,(H,18,19)
InChIKeyQVMXOYDOGZEOSF-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.73
Rot. Bonds1

About 1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one

1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one (PubChem CID 166265129) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one
PubChem CID166265129
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one
SMILESO=C1CCCCN1C1CCN(C2=NC3CCCCC3N2)CC1
InChIInChI=1S/C17H28N4O/c22-16-7-3-4-10-21(16)13-8-11-20(12-9-13)17-18-14-5-1-2-6-15(14)19-17/h13-15H,1-12H2,(H,18,19)
InChIKeyQVMXOYDOGZEOSF-UHFFFAOYSA-N
XLogP1.73
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one?
The IUPAC name of 1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one (CID 166265129) is 1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one is O=C1CCCCN1C1CCN(C2=NC3CCCCC3N2)CC1.
What is the InChIKey of 1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one?
The InChIKey is QVMXOYDOGZEOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c22-16-7-3-4-10-21(16)13-8-11-20(12-9-13)17-18-14-5-1-2-6-15(14)19-17/h13-15H,1-12H2,(H,18,19).
What are the key properties of 1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one?
1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one has a molecular weight of 304.44 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)piperidin-4-yl]piperidin-2-one is sourced from PubChem (CID 166265129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).