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

C29H33N3O4 — CID 58258535

IUPACN-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide
SMILESCOc1ccc(C(O)C(=O)N2CCN(c3ccc(NC(=O)CCCc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C29H33N3O4/c1-36-26-16-10-23(11-17-26)28(34)29(35)32-20-18-31(19-21-32)25-14-12-24(13-15-25)30-27(33)9-5-8-22-6-3-2-4-7-22/h2-4,6-7,10-17,28,34H,5,8-9,18-21H2,1H3,(H,30,33)
InChIKeyBIPOERHVWYRYIT-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.04
Rot. Bonds9

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

N-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide (PubChem CID 58258535) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide
PubChem CID58258535
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC NameN-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide
SMILESCOc1ccc(C(O)C(=O)N2CCN(c3ccc(NC(=O)CCCc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C29H33N3O4/c1-36-26-16-10-23(11-17-26)28(34)29(35)32-20-18-31(19-21-32)25-14-12-24(13-15-25)30-27(33)9-5-8-22-6-3-2-4-7-22/h2-4,6-7,10-17,28,34H,5,8-9,18-21H2,1H3,(H,30,33)
InChIKeyBIPOERHVWYRYIT-UHFFFAOYSA-N
XLogP4.04
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
N-(4-methoxy-2-nitrophenyl)-4-[4-(4-phenylbutanoylamino)phenyl]piperazine-1-carboxamide
CID 58258311
methyl 2-[[4-[4-(4-phenylbutanoylamino)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 58258510
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
benzyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxylate
CID 59419487
N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide
CID 4558492
3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947958
N-(2-tert-butylphenyl)-4-[4-(4-phenylbutanoylamino)phenyl]piperazine-1-carboxamide
CID 58258334
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide
CID 110406316
N-[2,6-dichloro-4-(1-piperidin-1-ylethyl)phenyl]-4-[4-(4-phenylbutanoylamino)phenyl]piperazine-1-carboxamide
CID 58258562
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 1055921

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide?
The IUPAC name of N-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide (CID 58258535) is N-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide?
The canonical SMILES for N-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide is COc1ccc(C(O)C(=O)N2CCN(c3ccc(NC(=O)CCCc4ccccc4)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide?
The InChIKey is BIPOERHVWYRYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-36-26-16-10-23(11-17-26)28(34)29(35)32-20-18-31(19-21-32)25-14-12-24(13-15-25)30-27(33)9-5-8-22-6-3-2-4-7-22/h2-4,6-7,10-17,28,34H,5,8-9,18-21H2,1H3,(H,30,33).
What are the key properties of N-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide?
N-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide has a molecular weight of 487.60 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide is sourced from PubChem (CID 58258535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).