N-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide

C31H37N3O3 — CID 24986119

IUPACN-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide
SMILESCC(=O)NCCCc1ccccc1Oc1ccccc1CCC(=O)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C31H37N3O3/c1-24(35)33-19-9-14-26-12-5-7-15-29(26)37-30-16-8-6-13-27(30)17-18-31(36)34-21-20-32-23-28(34)22-25-10-3-2-4-11-25/h2-8,10-13,15-16,28,32H,9,14,17-23H2,1H3,(H,33,35)/t28-/m1/s1
InChIKeyNYAGHCJRHJTGOO-MUUNZHRXSA-N
MW499.66 g/mol
LogP4.52
Rot. Bonds11

About N-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide

N-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide (PubChem CID 24986119) has the molecular formula C31H37N3O3 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide
PubChem CID24986119
Molecular FormulaC31H37N3O3
Molecular Weight499.66 g/mol
Exact Mass499.28
IUPAC NameN-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide
SMILESCC(=O)NCCCc1ccccc1Oc1ccccc1CCC(=O)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C31H37N3O3/c1-24(35)33-19-9-14-26-12-5-7-15-29(26)37-30-16-8-6-13-27(30)17-18-31(36)34-21-20-32-23-28(34)22-25-10-3-2-4-11-25/h2-8,10-13,15-16,28,32H,9,14,17-23H2,1H3,(H,33,35)/t28-/m1/s1
InChIKeyNYAGHCJRHJTGOO-MUUNZHRXSA-N
XLogP4.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]ethyl]acetamide
CID 68669130
1-[(2R)-2-benzylpiperazin-1-yl]-3-(2-phenoxyphenyl)propan-1-one
CID 16752759
[4-[[(2R)-1-[3-[2-[2-(2-acetamidoethyl)phenoxy]phenyl]propanoyl]piperazin-2-yl]methyl]phenyl] morpholine-4-carboxylate
CID 59447924
N-[[2-[2-[3-(2-benzylpiperazin-1-yl)-3-oxopropyl]-5-methylphenoxy]-5-methylphenyl]methyl]acetamide
CID 68669026
N-[[2-[2-[3-(2-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-4,6-dimethyl-3-pyridinyl]methyl]acetamide
CID 68669827
N-[1-[2-[3-(2-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-2-phenylethyl]acetamide
CID 68669015
3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one
CID 68669114
N-[[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]-4-methylphenoxy]-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 24986118
1-(2-benzylpiperazin-1-yl)-2-(2-phenoxyphenyl)ethanone
CID 68668878
N-[1-[2-[3-[2-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]phenyl]-3-phenylpropan-2-yl]acetamide
CID 68669494
N-[2-[2-[[2-[3-oxo-3-[2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperazin-1-yl]propyl]phenyl]methyl]phenyl]ethyl]acetamide
CID 68669304
[1-[3-[2-[2-(2-acetamidoethyl)phenoxy]phenyl]propanoyl]piperazin-2-yl]methyl (2R)-2-phenylmorpholine-4-carboxylate
CID 24984444

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide?
The IUPAC name of N-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide (CID 24986119) is N-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide.
What is the SMILES notation for N-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide?
The canonical SMILES for N-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide is CC(=O)NCCCc1ccccc1Oc1ccccc1CCC(=O)N1CCNC[C@H]1Cc1ccccc1.
What is the InChIKey of N-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide?
The InChIKey is NYAGHCJRHJTGOO-MUUNZHRXSA-N. The full InChI is InChI=1S/C31H37N3O3/c1-24(35)33-19-9-14-26-12-5-7-15-29(26)37-30-16-8-6-13-27(30)17-18-31(36)34-21-20-32-23-28(34)22-25-10-3-2-4-11-25/h2-8,10-13,15-16,28,32H,9,14,17-23H2,1H3,(H,33,35)/t28-/m1/s1.
What are the key properties of N-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide?
N-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide has a molecular weight of 499.66 g/mol, XLogP of 4.52, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxopropyl]phenoxy]phenyl]propyl]acetamide is sourced from PubChem (CID 24986119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).