N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide

C20H27N3O2 — CID 8597892

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)N[C@@H](C)c3ccco3)CC2)c1
InChIInChI=1S/C20H27N3O2/c1-16-5-3-6-18(13-16)14-22-8-10-23(11-9-22)15-20(24)21-17(2)19-7-4-12-25-19/h3-7,12-13,17H,8-11,14-15H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyYSRPIKPJIZRREV-KRWDZBQOSA-N
MW341.46 g/mol
LogP2.58
Rot. Bonds6

About N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide

N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 8597892) 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-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID8597892
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)N[C@@H](C)c3ccco3)CC2)c1
InChIInChI=1S/C20H27N3O2/c1-16-5-3-6-18(13-16)14-22-8-10-23(11-9-22)15-20(24)21-17(2)19-7-4-12-25-19/h3-7,12-13,17H,8-11,14-15H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyYSRPIKPJIZRREV-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-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8597854
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596472
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 9266085
N-[1-(furan-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 43162415
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
N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266537
N-(furan-2-ylmethyl)-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 78793293
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
N-(2,4-dimethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266501
N-(2,6-diethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266469
2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide
CID 42931762

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 8597892) is N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is Cc1cccc(CN2CCN(CC(=O)N[C@@H](C)c3ccco3)CC2)c1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is YSRPIKPJIZRREV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-16-5-3-6-18(13-16)14-22-8-10-23(11-9-22)15-20(24)21-17(2)19-7-4-12-25-19/h3-7,12-13,17H,8-11,14-15H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-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-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8597892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).