4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide

C15H28N4O — CID 83262147

IUPAC4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(N2CCC3CCC(C2)N3)CC1
InChIInChI=1S/C15H28N4O/c1-17(2)15(20)18-9-6-14(7-10-18)19-8-5-12-3-4-13(11-19)16-12/h12-14,16H,3-11H2,1-2H3
InChIKeyCXTLSJVQUNLIMG-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.96
Rot. Bonds1

About 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide

4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83262147) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83262147
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(N2CCC3CCC(C2)N3)CC1
InChIInChI=1S/C15H28N4O/c1-17(2)15(20)18-9-6-14(7-10-18)19-8-5-12-3-4-13(11-19)16-12/h12-14,16H,3-11H2,1-2H3
InChIKeyCXTLSJVQUNLIMG-UHFFFAOYSA-N
XLogP0.96
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide 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 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide (CID 83262147) is 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(N2CCC3CCC(C2)N3)CC1.
What is the InChIKey of 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is CXTLSJVQUNLIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-17(2)15(20)18-9-6-14(7-10-18)19-8-5-12-3-4-13(11-19)16-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide?
4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83262147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).