3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone

C14H25N3O — CID 114196496

IUPAC3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone
SMILESCC1CNC(C(=O)N2CC3CCCC(C3)C2)CN1
InChIInChI=1S/C14H25N3O/c1-10-6-16-13(7-15-10)14(18)17-8-11-3-2-4-12(5-11)9-17/h10-13,15-16H,2-9H2,1H3
InChIKeyPCRAFVXKFYCAEE-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.58
Rot. Bonds1

About 3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone

3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone (PubChem CID 114196496) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone
PubChem CID114196496
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone
SMILESCC1CNC(C(=O)N2CC3CCCC(C3)C2)CN1
InChIInChI=1S/C14H25N3O/c1-10-6-16-13(7-15-10)14(18)17-8-11-3-2-4-12(5-11)9-17/h10-13,15-16H,2-9H2,1H3
InChIKeyPCRAFVXKFYCAEE-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone with MolForge

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Related Compounds

(3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone
CID 79180783
(5-methylpiperazin-2-yl)-piperidin-1-ylmethanone
CID 63103119
3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone
CID 114196397
[3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 63524790
[4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 55177070
3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone
CID 63103852
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 55178611
(5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 55176687
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone
CID 79938706
5-methyl-N-(3-methylcyclohexyl)piperazine-2-carboxamide
CID 63103124
N-methyl-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 130479696
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(6-methylpiperidin-3-yl)methanone
CID 113335731

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone?
The IUPAC name of 3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone (CID 114196496) is 3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone.
What is the SMILES notation for 3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone?
The canonical SMILES for 3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone is CC1CNC(C(=O)N2CC3CCCC(C3)C2)CN1.
What is the InChIKey of 3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone?
The InChIKey is PCRAFVXKFYCAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-6-16-13(7-15-10)14(18)17-8-11-3-2-4-12(5-11)9-17/h10-13,15-16H,2-9H2,1H3.
What are the key properties of 3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone?
3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone has a molecular weight of 251.37 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone is sourced from PubChem (CID 114196496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).