2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride

C16H24ClN3O — CID 119927602

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride
SMILESCN(C(=O)CN1CCC2CCC(C1)N2)c1ccccc1.Cl
InChIInChI=1S/C16H23N3O.ClH/c1-18(15-5-3-2-4-6-15)16(20)12-19-10-9-13-7-8-14(11-19)17-13;/h2-6,13-14,17H,7-12H2,1H3;1H
InChIKeyJXTWFAASAHRQHP-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.90
Rot. Bonds3

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride (PubChem CID 119927602) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride
PubChem CID119927602
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride
SMILESCN(C(=O)CN1CCC2CCC(C1)N2)c1ccccc1.Cl
InChIInChI=1S/C16H23N3O.ClH/c1-18(15-5-3-2-4-6-15)16(20)12-19-10-9-13-7-8-14(11-19)17-13;/h2-6,13-14,17H,7-12H2,1H3;1H
InChIKeyJXTWFAASAHRQHP-UHFFFAOYSA-N
XLogP1.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 62656804
N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide
CID 81490380
2-(3-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 55099876
2-[2-(hydroxymethyl)morpholin-4-yl]-N-methyl-N-phenylacetamide
CID 79833459
N-methyl-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-phenylacetamide
CID 60503563
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
N-methyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014553
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119927680
N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81491367
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440
1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441165
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 78942501

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride (CID 119927602) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride is CN(C(=O)CN1CCC2CCC(C1)N2)c1ccccc1.Cl.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride?
The InChIKey is JXTWFAASAHRQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.ClH/c1-18(15-5-3-2-4-6-15)16(20)12-19-10-9-13-7-8-14(11-19)17-13;/h2-6,13-14,17H,7-12H2,1H3;1H.
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride?
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride is sourced from PubChem (CID 119927602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).