N-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide

C21H35N3O2 — CID 651224

IUPACN-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
SMILESO=C(NC1CC2CCCC(C1)N2C(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H35N3O2/c25-20(16-8-3-1-4-9-16)22-17-14-18-10-7-11-19(15-17)24(18)21(26)23-12-5-2-6-13-23/h16-19H,1-15H2,(H,22,25)
InChIKeyWKSPHKXNQUHVEX-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.67
Rot. Bonds2

About N-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide

N-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide (PubChem CID 651224) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
PubChem CID651224
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC NameN-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
SMILESO=C(NC1CC2CCCC(C1)N2C(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H35N3O2/c25-20(16-8-3-1-4-9-16)22-17-14-18-10-7-11-19(15-17)24(18)21(26)23-12-5-2-6-13-23/h16-19H,1-15H2,(H,22,25)
InChIKeyWKSPHKXNQUHVEX-UHFFFAOYSA-N
XLogP3.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide 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 N-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide (CID 651224) is N-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide is O=C(NC1CC2CCCC(C1)N2C(=O)N1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide?
The InChIKey is WKSPHKXNQUHVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c25-20(16-8-3-1-4-9-16)22-17-14-18-10-7-11-19(15-17)24(18)21(26)23-12-5-2-6-13-23/h16-19H,1-15H2,(H,22,25).
What are the key properties of N-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide?
N-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide has a molecular weight of 361.53 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(piperidine-1-carbonyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 651224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).