N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide

C21H25N3O4 — CID 8592483

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-26-18-4-2-3-17(12-18)24-9-7-23(8-10-24)14-21(25)22-13-16-5-6-19-20(11-16)28-15-27-19/h2-6,11-12H,7-10,13-15H2,1H3,(H,22,25)
InChIKeyPZEDHEFEJPRXHW-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.86
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 8592483) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID8592483
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)c1
InChIInChI=1S/C21H25N3O4/c1-26-18-4-2-3-17(12-18)24-9-7-23(8-10-24)14-21(25)22-13-16-5-6-19-20(11-16)28-15-27-19/h2-6,11-12H,7-10,13-15H2,1H3,(H,22,25)
InChIKeyPZEDHEFEJPRXHW-UHFFFAOYSA-N
XLogP1.86
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
N-[(2-methoxyphenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592411
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 9326599
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 8720971
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenacylpiperazin-1-yl)acetamide
CID 11429359
tert-butyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperazine-1-carboxylate
CID 34196458
2-(4-benzhydrylpiperazin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 2812559
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 55600931
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 38125172
1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxyphenyl)methyl]thiourea
CID 3589166
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 27451889
tert-butyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 171701509

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (CID 8592483) is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is COc1cccc(N2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is PZEDHEFEJPRXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-26-18-4-2-3-17(12-18)24-9-7-23(8-10-24)14-21(25)22-13-16-5-6-19-20(11-16)28-15-27-19/h2-6,11-12H,7-10,13-15H2,1H3,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8592483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).