N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride

C20H32Cl2N4O — CID 119458426

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
SMILESCN1CCN(C(C(=O)NC2CC3CCC(C2)N3)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C20H30N4O.2ClH/c1-23-9-11-24(12-10-23)19(15-5-3-2-4-6-15)20(25)22-18-13-16-7-8-17(14-18)21-16;;/h2-6,16-19,21H,7-14H2,1H3,(H,22,25);2*1H
InChIKeyKNPIRGFTCBIEHA-UHFFFAOYSA-N
MW415.41 g/mol
LogP2.22
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride (PubChem CID 119458426) has the molecular formula C20H32Cl2N4O and a molecular weight of 415.41 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
PubChem CID119458426
Molecular FormulaC20H32Cl2N4O
Molecular Weight415.41 g/mol
Exact Mass414.20
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
SMILESCN1CCN(C(C(=O)NC2CC3CCC(C2)N3)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C20H30N4O.2ClH/c1-23-9-11-24(12-10-23)19(15-5-3-2-4-6-15)20(25)22-18-13-16-7-8-17(14-18)21-16;;/h2-6,16-19,21H,7-14H2,1H3,(H,22,25);2*1H
InChIKeyKNPIRGFTCBIEHA-UHFFFAOYSA-N
XLogP2.22
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride with MolForge

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Related Compounds

(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119453034
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride
CID 119455950
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
CID 119350173
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenoxy-2-phenylacetamide;hydrochloride
CID 119457115
N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 120506442
(2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 9029671
(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide
CID 9029338
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylsulfanylbutanamide;hydrochloride
CID 119457312
(2S)-N-cyclopropyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
CID 51887029

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride (CID 119458426) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride is CN1CCN(C(C(=O)NC2CC3CCC(C2)N3)c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride?
The InChIKey is KNPIRGFTCBIEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O.2ClH/c1-23-9-11-24(12-10-23)19(15-5-3-2-4-6-15)20(25)22-18-13-16-7-8-17(14-18)21-16;;/h2-6,16-19,21H,7-14H2,1H3,(H,22,25);2*1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride has a molecular weight of 415.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride is sourced from PubChem (CID 119458426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).