N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide

C21H31N3O4 — CID 110306347

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C21H31N3O4/c1-17(25)23-13-15-24(16-14-23)21(27)11-12-22-20(26)6-4-3-5-18-7-9-19(28-2)10-8-18/h7-10H,3-6,11-16H2,1-2H3,(H,22,26)
InChIKeyFRUGFQSMZAHHBI-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.61
Rot. Bonds9

About N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide (PubChem CID 110306347) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide
PubChem CID110306347
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C21H31N3O4/c1-17(25)23-13-15-24(16-14-23)21(27)11-12-22-20(26)6-4-3-5-18-7-9-19(28-2)10-8-18/h7-10H,3-6,11-16H2,1-2H3,(H,22,26)
InChIKeyFRUGFQSMZAHHBI-UHFFFAOYSA-N
XLogP1.61
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
13-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)tridecan-1-one
CID 10716127
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
5-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297855
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide
CID 110306324
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-tert-butylphenyl)propanamide
CID 110626354
5-(4-methoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306644
4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119444966
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide (CID 110306347) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide is COc1ccc(CCCCC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide?
The InChIKey is FRUGFQSMZAHHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-17(25)23-13-15-24(16-14-23)21(27)11-12-22-20(26)6-4-3-5-18-7-9-19(28-2)10-8-18/h7-10H,3-6,11-16H2,1-2H3,(H,22,26).
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide has a molecular weight of 389.50 g/mol, XLogP of 1.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide is sourced from PubChem (CID 110306347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).