N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide

C18H25N3O4 — CID 110800272

IUPACN-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)cc1NC(C)=O
InChIInChI=1S/C18H25N3O4/c1-12(2)17(23)20-7-9-21(10-8-20)18(24)14-5-6-16(25-4)15(11-14)19-13(3)22/h5-6,11-12H,7-10H2,1-4H3,(H,19,22)
InChIKeyILLQQWLEZPCAQL-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.59
Rot. Bonds4

About N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide

N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 110800272) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID110800272
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)cc1NC(C)=O
InChIInChI=1S/C18H25N3O4/c1-12(2)17(23)20-7-9-21(10-8-20)18(24)14-5-6-16(25-4)15(11-14)19-13(3)22/h5-6,11-12H,7-10H2,1-4H3,(H,19,22)
InChIKeyILLQQWLEZPCAQL-UHFFFAOYSA-N
XLogP1.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
ethyl 4-(3-acetamido-4-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110809030
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 95178995
methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate
CID 110803260
1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 110761401
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51211834
N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide
CID 171683710
2-methyl-1-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796841
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
2-(4-aminophenyl)-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119755653

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide (CID 110800272) is N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide is COc1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is ILLQQWLEZPCAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12(2)17(23)20-7-9-21(10-8-20)18(24)14-5-6-16(25-4)15(11-14)19-13(3)22/h5-6,11-12H,7-10H2,1-4H3,(H,19,22).
What are the key properties of N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 1.59, 4 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-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 110800272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).