N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide

C25H29N3O2 — CID 39963323

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c29-25(20-30-24-12-6-10-22-9-4-5-11-23(22)24)26-13-14-27-15-17-28(18-16-27)19-21-7-2-1-3-8-21/h1-12H,13-20H2,(H,26,29)
InChIKeyWAXFBXPZCBYMTB-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.15
Rot. Bonds8

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide (PubChem CID 39963323) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide
PubChem CID39963323
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c29-25(20-30-24-12-6-10-22-9-4-5-11-23(22)24)26-13-14-27-15-17-28(18-16-27)19-21-7-2-1-3-8-21/h1-12H,13-20H2,(H,26,29)
InChIKeyWAXFBXPZCBYMTB-UHFFFAOYSA-N
XLogP3.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
2-naphthalen-1-yloxy-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 3312862
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 39302579
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 60514201
methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate
CID 26635464
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 39963411
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 39302925
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 39985541
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129
2-naphthalen-1-yloxy-N-[(4-pyrrol-1-ylphenyl)methyl]acetamide
CID 5300589
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
CID 120703889

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide (CID 39963323) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide is O=C(COc1cccc2ccccc12)NCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is WAXFBXPZCBYMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c29-25(20-30-24-12-6-10-22-9-4-5-11-23(22)24)26-13-14-27-15-17-28(18-16-27)19-21-7-2-1-3-8-21/h1-12H,13-20H2,(H,26,29).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 403.53 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 39963323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).