2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

C23H27N5O2 — CID 46426761

IUPAC2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N5O2/c29-22(17-21-19-9-4-5-10-20(19)23(30)26-25-21)24-11-6-12-27-13-15-28(16-14-27)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,29)(H,26,30)
InChIKeyKYMGUUWYOYWHOP-UHFFFAOYSA-N
MW405.50 g/mol
LogP1.79
Rot. Bonds7

About 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide

2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide (PubChem CID 46426761) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
PubChem CID46426761
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N5O2/c29-22(17-21-19-9-4-5-10-20(19)23(30)26-25-21)24-11-6-12-27-13-15-28(16-14-27)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,29)(H,26,30)
InChIKeyKYMGUUWYOYWHOP-UHFFFAOYSA-N
XLogP1.79
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46427247
2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 55861372
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55633973
2-(1H-indol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 55602446
2-[4-(difluoromethoxy)phenyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448239
2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767
3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
CID 52691963
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 171679416
2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 135410394
2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901944

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide (CID 46426761) is 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The InChIKey is KYMGUUWYOYWHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-22(17-21-19-9-4-5-10-20(19)23(30)26-25-21)24-11-6-12-27-13-15-28(16-14-27)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,29)(H,26,30).
What are the key properties of 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide?
2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 46426761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).