1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone

C29H39N3O — CID 127051457

IUPAC1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone
SMILESCN(C)C12CC(c3ccccc3)C(CN(C(=O)CN3CCCCC3)C1)C(c1ccccc1)C2
InChIInChI=1S/C29H39N3O/c1-30(2)29-18-25(23-12-6-3-7-13-23)27(26(19-29)24-14-8-4-9-15-24)20-32(22-29)28(33)21-31-16-10-5-11-17-31/h3-4,6-9,12-15,25-27H,5,10-11,16-22H2,1-2H3
InChIKeyGNIDNLDAMIFXDP-UHFFFAOYSA-N
MW445.65 g/mol
LogP4.59
Rot. Bonds5

About 1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone

1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone (PubChem CID 127051457) has the molecular formula C29H39N3O and a molecular weight of 445.65 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone
PubChem CID127051457
Molecular FormulaC29H39N3O
Molecular Weight445.65 g/mol
Exact Mass445.31
IUPAC Name1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone
SMILESCN(C)C12CC(c3ccccc3)C(CN(C(=O)CN3CCCCC3)C1)C(c1ccccc1)C2
InChIInChI=1S/C29H39N3O/c1-30(2)29-18-25(23-12-6-3-7-13-23)27(26(19-29)24-14-8-4-9-15-24)20-32(22-29)28(33)21-31-16-10-5-11-17-31/h3-4,6-9,12-15,25-27H,5,10-11,16-22H2,1-2H3
InChIKeyGNIDNLDAMIFXDP-UHFFFAOYSA-N
XLogP4.59
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.65
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone with MolForge

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Related Compounds

1-(3-amino-4-phenylpyrrolidin-1-yl)-2-(azocan-1-yl)ethanone
CID 156604119
(3S,4R)-4-phenyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 166299597
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
N,N-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine
CID 127049956
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 120762004
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-1-(azepan-1-yl)ethanone
CID 120759847
1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 97110715
N,N-dimethyl-7,8-diphenyl-2-(2-piperidin-1-ylethyl)-2-azabicyclo[3.2.2]nonan-5-amine
CID 127048663
1-methyl-3-phenyl-8-(2-pyrrolidin-1-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72851229
formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 171688367
2-(2,2-dimethyl-4-piperidin-1-yl-3H-pyridin-1-ium-1-yl)-1-(6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-yl)ethanone
CID 139267666
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetyl]piperidine-3-carboxamide
CID 120758703

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone (CID 127051457) is 1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone is CN(C)C12CC(c3ccccc3)C(CN(C(=O)CN3CCCCC3)C1)C(c1ccccc1)C2.
What is the InChIKey of 1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone?
The InChIKey is GNIDNLDAMIFXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O/c1-30(2)29-18-25(23-12-6-3-7-13-23)27(26(19-29)24-14-8-4-9-15-24)20-32(22-29)28(33)21-31-16-10-5-11-17-31/h3-4,6-9,12-15,25-27H,5,10-11,16-22H2,1-2H3.
What are the key properties of 1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone?
1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone has a molecular weight of 445.65 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-3-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 127051457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).