N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide

C25H33N3O3 — CID 60602041

IUPACN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CCCCc1ccc(C)cc1
InChIInChI=1S/C25H33N3O3/c1-19-8-10-20(11-9-19)6-4-5-7-24(29)26-22-18-21(12-13-23(22)31-3)25(30)28-16-14-27(2)15-17-28/h8-13,18H,4-7,14-17H2,1-3H3,(H,26,29)
InChIKeyHHLPZRZHKJBKDW-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.74
Rot. Bonds8

About N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide

N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide (PubChem CID 60602041) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide
PubChem CID60602041
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CCCCc1ccc(C)cc1
InChIInChI=1S/C25H33N3O3/c1-19-8-10-20(11-9-19)6-4-5-7-24(29)26-22-18-21(12-13-23(22)31-3)25(30)28-16-14-27(2)15-17-28/h8-13,18H,4-7,14-17H2,1-3H3,(H,26,29)
InChIKeyHHLPZRZHKJBKDW-UHFFFAOYSA-N
XLogP3.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.74
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

7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride
CID 119866731
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119866737
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 95178995
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119307355
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide
CID 60596548
4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 71926356
2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 35130352
1-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-(4-methylphenyl)propan-1-one
CID 108543805
2-(4-aminophenyl)-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119755653
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide?
The IUPAC name of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide (CID 60602041) is N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide.
What is the SMILES notation for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide?
The canonical SMILES for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide is COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CCCCc1ccc(C)cc1.
What is the InChIKey of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide?
The InChIKey is HHLPZRZHKJBKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-19-8-10-20(11-9-19)6-4-5-7-24(29)26-22-18-21(12-13-23(22)31-3)25(30)28-16-14-27(2)15-17-28/h8-13,18H,4-7,14-17H2,1-3H3,(H,26,29).
What are the key properties of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide?
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide has a molecular weight of 423.56 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide is sourced from PubChem (CID 60602041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).