2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide

C26H31N3O — CID 55861372

IUPAC2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H31N3O/c30-26(21-22-12-13-23-8-4-5-9-24(23)20-22)27-14-6-7-15-28-16-18-29(19-17-28)25-10-2-1-3-11-25/h1-5,8-13,20H,6-7,14-19,21H2,(H,27,30)
InChIKeyRMHVAEPNOAUWKF-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.10
Rot. Bonds8

About 2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide

2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide (PubChem CID 55861372) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
PubChem CID55861372
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H31N3O/c30-26(21-22-12-13-23-8-4-5-9-24(23)20-22)27-14-6-7-15-28-16-18-29(19-17-28)25-10-2-1-3-11-25/h1-5,8-13,20H,6-7,14-19,21H2,(H,27,30)
InChIKeyRMHVAEPNOAUWKF-UHFFFAOYSA-N
XLogP4.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767
2-[4-(difluoromethoxy)phenyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448239
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
CID 52691963
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 38809706
N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide
CID 11270403
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 154859701
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 55931812

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide?
The IUPAC name of 2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide (CID 55861372) is 2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide?
The canonical SMILES for 2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide is O=C(Cc1ccc2ccccc2c1)NCCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide?
The InChIKey is RMHVAEPNOAUWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c30-26(21-22-12-13-23-8-4-5-9-24(23)20-22)27-14-6-7-15-28-16-18-29(19-17-28)25-10-2-1-3-11-25/h1-5,8-13,20H,6-7,14-19,21H2,(H,27,30).
What are the key properties of 2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide?
2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide has a molecular weight of 401.55 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide is sourced from PubChem (CID 55861372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).