N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide

C27H29N3O4 — CID 25354438

IUPACN-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide
SMILESCOc1ccc(N2CCN(C(=O)COc3cccc(C(=O)NCc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C27H29N3O4/c1-33-24-12-10-23(11-13-24)29-14-16-30(17-15-29)26(31)20-34-25-9-5-8-22(18-25)27(32)28-19-21-6-3-2-4-7-21/h2-13,18H,14-17,19-20H2,1H3,(H,28,32)
InChIKeyGVKQWBPBNZHYAW-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.35
Rot. Bonds8

About N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide

N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide (PubChem CID 25354438) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide
PubChem CID25354438
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide
SMILESCOc1ccc(N2CCN(C(=O)COc3cccc(C(=O)NCc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C27H29N3O4/c1-33-24-12-10-23(11-13-24)29-14-16-30(17-15-29)26(31)20-34-25-9-5-8-22(18-25)27(32)28-19-21-6-3-2-4-7-21/h2-13,18H,14-17,19-20H2,1H3,(H,28,32)
InChIKeyGVKQWBPBNZHYAW-UHFFFAOYSA-N
XLogP3.35
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 17226023
tert-butyl 4-[4-[[(3-methoxybenzoyl)amino]methyl]phenyl]piperazine-1-carboxylate
CID 3698617
[3-[[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl] acetate
CID 58462415
acetic acid;[3-[[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl] acetate
CID 66886796
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 55756147
2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212
N-[(3-methoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
CID 53102427
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113075907
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide (CID 25354438) is N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide is COc1ccc(N2CCN(C(=O)COc3cccc(C(=O)NCc4ccccc4)c3)CC2)cc1.
What is the InChIKey of N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is GVKQWBPBNZHYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-33-24-12-10-23(11-13-24)29-14-16-30(17-15-29)26(31)20-34-25-9-5-8-22(18-25)27(32)28-19-21-6-3-2-4-7-21/h2-13,18H,14-17,19-20H2,1H3,(H,28,32).
What are the key properties of N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 459.55 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 25354438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).