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

C24H29N3O2 — CID 8597854

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-18-6-5-7-20(14-18)16-26-10-12-27(13-11-26)17-24(28)25-19(2)23-15-21-8-3-4-9-22(21)29-23/h3-9,14-15,19H,10-13,16-17H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyJBJOMQZCDVMPBY-IBGZPJMESA-N
MW391.52 g/mol
LogP3.74
Rot. Bonds6

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

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 8597854) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID8597854
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1cccc(CN2CCN(CC(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-18-6-5-7-20(14-18)16-26-10-12-27(13-11-26)17-24(28)25-19(2)23-15-21-8-3-4-9-22(21)29-23/h3-9,14-15,19H,10-13,16-17H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyJBJOMQZCDVMPBY-IBGZPJMESA-N
XLogP3.74
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.74
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-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997853
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 9266085
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8549120
N-[1-(1-benzofuran-2-yl)ethyl]-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetamide
CID 86774712
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 3-methylbenzoate
CID 9290575
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 11930021
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8786735
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 9369720
ethyl (3R)-1-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 8561364
N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266537

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 8597854) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is Cc1cccc(CN2CCN(CC(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)c1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is JBJOMQZCDVMPBY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-6-5-7-20(14-18)16-26-10-12-27(13-11-26)17-24(28)25-19(2)23-15-21-8-3-4-9-22(21)29-23/h3-9,14-15,19H,10-13,16-17H2,1-2H3,(H,25,28)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 391.52 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8597854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).