N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide

C20H27N3O2 — CID 8596472

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccccc1CN1CCN(CC(=O)N[C@@H](C)c2ccco2)CC1
InChIInChI=1S/C20H27N3O2/c1-16-6-3-4-7-18(16)14-22-9-11-23(12-10-22)15-20(24)21-17(2)19-8-5-13-25-19/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyVQVCBBJVZOWNCK-KRWDZBQOSA-N
MW341.46 g/mol
LogP2.58
Rot. Bonds6

About N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide

N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 8596472) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID8596472
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccccc1CN1CCN(CC(=O)N[C@@H](C)c2ccco2)CC1
InChIInChI=1S/C20H27N3O2/c1-16-6-3-4-7-18(16)14-22-9-11-23(12-10-22)15-20(24)21-17(2)19-8-5-13-25-19/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyVQVCBBJVZOWNCK-KRWDZBQOSA-N
XLogP2.58
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8597892
N-[1-(furan-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 43162415
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8596471
2-(4-benzylpiperidin-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9430556
2-(4-aminopiperidin-1-yl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 43556867
2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide
CID 42931762
2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 30649212
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596439
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 95278550
1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 126476688
2-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9017578
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22194707

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 8596472) is N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide is Cc1ccccc1CN1CCN(CC(=O)N[C@@H](C)c2ccco2)CC1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is VQVCBBJVZOWNCK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-16-6-3-4-7-18(16)14-22-9-11-23(12-10-22)15-20(24)21-17(2)19-8-5-13-25-19/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8596472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).