2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C23H31N3O+2 — CID 2409447

IUPAC2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C23H29N3O/c27-23(24-22-12-6-10-20-9-4-5-11-21(20)22)18-26-15-13-25(14-16-26)17-19-7-2-1-3-8-19/h1-5,7-9,11,22H,6,10,12-18H2,(H,24,27)/p+2/t22-/m0/s1
InChIKeyZWCGGIZBBNFRIP-QFIPXVFZSA-P
MW365.52 g/mol
LogP0.16
Rot. Bonds5

About 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 2409447) has the molecular formula C23H31N3O+2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID2409447
Molecular FormulaC23H31N3O+2
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C23H29N3O/c27-23(24-22-12-6-10-20-9-4-5-11-21(20)22)18-26-15-13-25(14-16-26)17-19-7-2-1-3-8-19/h1-5,7-9,11,22H,6,10,12-18H2,(H,24,27)/p+2/t22-/m0/s1
InChIKeyZWCGGIZBBNFRIP-QFIPXVFZSA-P
XLogP0.16
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2410577
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2122916
2-[benzyl(methyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8901359
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2122910
2-(3-aminophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62499039
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448
2-(4-benzylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4268448
2-(1-hydroxycyclopentyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111430151
3-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43835607
2-phenylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2707705
2-[benzyl(ethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8541655

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 2409447) is 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(C[NH+]1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is ZWCGGIZBBNFRIP-QFIPXVFZSA-P. The full InChI is InChI=1S/C23H29N3O/c27-23(24-22-12-6-10-20-9-4-5-11-21(20)22)18-26-15-13-25(14-16-26)17-19-7-2-1-3-8-19/h1-5,7-9,11,22H,6,10,12-18H2,(H,24,27)/p+2/t22-/m0/s1.
What are the key properties of 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 365.52 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 2409447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).