2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C21H26N3O3+ — CID 2410577

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccco2)CC1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C21H25N3O3/c25-20(22-18-8-3-6-16-5-1-2-7-17(16)18)15-23-10-12-24(13-11-23)21(26)19-9-4-14-27-19/h1-2,4-5,7,9,14,18H,3,6,8,10-13,15H2,(H,22,25)/p+1/t18-/m0/s1
InChIKeyIHZXAWKOYBXQON-SFHVURJKSA-O
MW368.46 g/mol
LogP0.81
Rot. Bonds4

About 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 2410577) has the molecular formula C21H26N3O3+ and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID2410577
Molecular FormulaC21H26N3O3+
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccco2)CC1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C21H25N3O3/c25-20(22-18-8-3-6-16-5-1-2-7-17(16)18)15-23-10-12-24(13-11-23)21(26)19-9-4-14-27-19/h1-2,4-5,7,9,14,18H,3,6,8,10-13,15H2,(H,22,25)/p+1/t18-/m0/s1
InChIKeyIHZXAWKOYBXQON-SFHVURJKSA-O
XLogP0.81
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2410575
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409447
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2122916
N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide
CID 51180214
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2122910
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] (3S)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 55938035
N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932752
N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide
CID 42987280
N-(3,5-dichlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 4755786
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 2410577) is 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(C[NH+]1CCN(C(=O)c2ccco2)CC1)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is IHZXAWKOYBXQON-SFHVURJKSA-O. The full InChI is InChI=1S/C21H25N3O3/c25-20(22-18-8-3-6-16-5-1-2-7-17(16)18)15-23-10-12-24(13-11-23)21(26)19-9-4-14-27-19/h1-2,4-5,7,9,14,18H,3,6,8,10-13,15H2,(H,22,25)/p+1/t18-/m0/s1.
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 368.46 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 2410577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).