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

C17H23N3O3 — CID 110800200

IUPACN-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-12(2)16(22)19-8-10-20(11-9-19)17(23)14-4-6-15(7-5-14)18-13(3)21/h4-7,12H,8-11H2,1-3H3,(H,18,21)
InChIKeyBMEQIMNRQXIGLL-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.59
Rot. Bonds3

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

N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 110800200) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID110800200
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-12(2)16(22)19-8-10-20(11-9-19)17(23)14-4-6-15(7-5-14)18-13(3)21/h4-7,12H,8-11H2,1-3H3,(H,18,21)
InChIKeyBMEQIMNRQXIGLL-UHFFFAOYSA-N
XLogP1.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110365423
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800272
2-methyl-1-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]propan-1-one
CID 110800282
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427
2-methyl-1-[4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one
CID 51165773
N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 174684643
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812235
2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid
CID 116680919

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide (CID 110800200) is N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is BMEQIMNRQXIGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(2)16(22)19-8-10-20(11-9-19)17(23)14-4-6-15(7-5-14)18-13(3)21/h4-7,12H,8-11H2,1-3H3,(H,18,21).
What are the key properties of N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 110800200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).