[4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone

C28H38N2O4 — CID 4947734

IUPAC[4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone
SMILESCCCCCOc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2OCCCCC)CC1
InChIInChI=1S/C28H38N2O4/c1-3-5-11-21-33-25-15-9-7-13-23(25)27(31)29-17-19-30(20-18-29)28(32)24-14-8-10-16-26(24)34-22-12-6-4-2/h7-10,13-16H,3-6,11-12,17-22H2,1-2H3
InChIKeyBXPGWVGRVWZOSI-UHFFFAOYSA-N
MW466.62 g/mol
LogP5.42
Rot. Bonds12

About [4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone

[4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone (PubChem CID 4947734) has the molecular formula C28H38N2O4 and a molecular weight of 466.62 g/mol. Its IUPAC name is [4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone
PubChem CID4947734
Molecular FormulaC28H38N2O4
Molecular Weight466.62 g/mol
Exact Mass466.28
IUPAC Name[4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone
SMILESCCCCCOc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2OCCCCC)CC1
InChIInChI=1S/C28H38N2O4/c1-3-5-11-21-33-25-15-9-7-13-23(25)27(31)29-17-19-30(20-18-29)28(32)24-14-8-10-16-26(24)34-22-12-6-4-2/h7-10,13-16H,3-6,11-12,17-22H2,1-2H3
InChIKeyBXPGWVGRVWZOSI-UHFFFAOYSA-N
XLogP5.42
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.62
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone 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

[4-(2-butoxybenzoyl)-1,4-diazepan-1-yl]-(2-butoxyphenyl)methanone
CID 4981271
1-(2-butoxybenzoyl)piperidine-4-carboxylic acid
CID 54793753
2-pentoxybenzoic acid;hydrochloride
CID 70416265
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
2-dodecoxybenzoic acid;nickel
CID 87443191
2-nonoxybenzoic acid;zinc
CID 70396181
calcium;2-hexadecoxybenzoic acid;hydride
CID 173426862
2-(3-pentoxypropoxy)benzoic acid
CID 63074508
(2-butoxyphenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70745468
(2-butoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56747964
[2-(2-methoxyethoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 51124620
[4-(5-nitro-2-pentoxybenzoyl)piperazin-1-yl]-(5-nitro-2-pentoxyphenyl)methanone
CID 3406813

Frequently Asked Questions

What is the IUPAC name of [4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone?
The IUPAC name of [4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone (CID 4947734) is [4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone.
What is the SMILES notation for [4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone?
The canonical SMILES for [4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone is CCCCCOc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2OCCCCC)CC1.
What is the InChIKey of [4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone?
The InChIKey is BXPGWVGRVWZOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O4/c1-3-5-11-21-33-25-15-9-7-13-23(25)27(31)29-17-19-30(20-18-29)28(32)24-14-8-10-16-26(24)34-22-12-6-4-2/h7-10,13-16H,3-6,11-12,17-22H2,1-2H3.
What are the key properties of [4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone?
[4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone has a molecular weight of 466.62 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone is sourced from PubChem (CID 4947734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).