N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide

C24H31N3O3 — CID 4558492

IUPACN-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-3-4-5-23(28)25-20-8-10-21(11-9-20)26-14-16-27(17-15-26)24(29)18-19-6-12-22(30-2)13-7-19/h6-13H,3-5,14-18H2,1-2H3,(H,25,28)
InChIKeyLWXRCQPUBVDZGG-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.72
Rot. Bonds8

About N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide

N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide (PubChem CID 4558492) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide
PubChem CID4558492
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-3-4-5-23(28)25-20-8-10-21(11-9-20)26-14-16-27(17-15-26)24(29)18-19-6-12-22(30-2)13-7-19/h6-13H,3-5,14-18H2,1-2H3,(H,25,28)
InChIKeyLWXRCQPUBVDZGG-UHFFFAOYSA-N
XLogP3.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]anilino]-4-oxobutanoate
CID 42768638
1-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 1056337
2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078995
3-(4-methoxyphenyl)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]propanamide
CID 55647017
N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]nonanamide
CID 3935359
2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide
CID 42768636
benzyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxylate
CID 59419487
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium
CID 8593005
1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea
CID 42768647
N-[4-[4-[2-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 44548711
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxohexanamide
CID 113097929

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide?
The IUPAC name of N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide (CID 4558492) is N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide?
The canonical SMILES for N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide?
The InChIKey is LWXRCQPUBVDZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-4-5-23(28)25-20-8-10-21(11-9-20)26-14-16-27(17-15-26)24(29)18-19-6-12-22(30-2)13-7-19/h6-13H,3-5,14-18H2,1-2H3,(H,25,28).
What are the key properties of N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide?
N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide has a molecular weight of 409.53 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide is sourced from PubChem (CID 4558492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).