N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide

C22H34N4O — CID 167934556

IUPACN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCN1C2CCCC1CC(NC(=O)CCN1CCN(c3ccccc3)CC1)C2
InChIInChI=1S/C22H34N4O/c1-24-20-8-5-9-21(24)17-18(16-20)23-22(27)10-11-25-12-14-26(15-13-25)19-6-3-2-4-7-19/h2-4,6-7,18,20-21H,5,8-17H2,1H3,(H,23,27)
InChIKeyVSQMTEDKCSSWGR-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.33
Rot. Bonds5

About N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide

N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 167934556) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID167934556
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCN1C2CCCC1CC(NC(=O)CCN1CCN(c3ccccc3)CC1)C2
InChIInChI=1S/C22H34N4O/c1-24-20-8-5-9-21(24)17-18(16-20)23-22(27)10-11-25-12-14-26(15-13-25)19-6-3-2-4-7-19/h2-4,6-7,18,20-21H,5,8-17H2,1H3,(H,23,27)
InChIKeyVSQMTEDKCSSWGR-UHFFFAOYSA-N
XLogP2.33
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 66989567
N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 91026152
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119458299
N-(3-methylpiperidin-4-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 120557201
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 72879612
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170
2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-phenylacetamide
CID 65471032
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268287
N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 111540277

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 167934556) is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide is CN1C2CCCC1CC(NC(=O)CCN1CCN(c3ccccc3)CC1)C2.
What is the InChIKey of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is VSQMTEDKCSSWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-24-20-8-5-9-21(24)17-18(16-20)23-22(27)10-11-25-12-14-26(15-13-25)19-6-3-2-4-7-19/h2-4,6-7,18,20-21H,5,8-17H2,1H3,(H,23,27).
What are the key properties of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 370.54 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 167934556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).