3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one

C21H29N3O2 — CID 133120932

IUPAC3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one
SMILESO=C(c1ccccn1)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCC1CCCC1)C2
InChIInChI=1S/C21H29N3O2/c25-20(11-9-16-5-1-2-6-16)24-14-17-8-10-18(24)15-23(13-17)21(26)19-7-3-4-12-22-19/h3-4,7,12,16-18H,1-2,5-6,8-11,13-15H2/t17-,18+/m1/s1
InChIKeyAAOZQQCYTCZGHA-MSOLQXFVSA-N
MW355.48 g/mol
LogP3.12
Rot. Bonds4

About 3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one

3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one (PubChem CID 133120932) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one
PubChem CID133120932
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one
SMILESO=C(c1ccccn1)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCC1CCCC1)C2
InChIInChI=1S/C21H29N3O2/c25-20(11-9-16-5-1-2-6-16)24-14-17-8-10-18(24)15-23(13-17)21(26)19-7-3-4-12-22-19/h3-4,7,12,16-18H,1-2,5-6,8-11,13-15H2/t17-,18+/m1/s1
InChIKeyAAOZQQCYTCZGHA-MSOLQXFVSA-N
XLogP3.12
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-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 3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one (CID 133120932) is 3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one is O=C(c1ccccn1)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCC1CCCC1)C2.
What is the InChIKey of 3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one?
The InChIKey is AAOZQQCYTCZGHA-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20(11-9-16-5-1-2-6-16)24-14-17-8-10-18(24)15-23(13-17)21(26)19-7-3-4-12-22-19/h3-4,7,12,16-18H,1-2,5-6,8-11,13-15H2/t17-,18+/m1/s1.
What are the key properties of 3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one?
3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one has a molecular weight of 355.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[(1R,5S)-3-(pyridine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one is sourced from PubChem (CID 133120932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).