N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide

C19H29N3O3 — CID 18163310

IUPACN-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C19H29N3O3/c1-4-5-8-20-18(23)14-21-9-11-22(12-10-21)19(24)16-7-6-15(2)17(13-16)25-3/h6-7,13H,4-5,8-12,14H2,1-3H3,(H,20,23)
InChIKeyQPJPGQWJOLMWHL-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.68
Rot. Bonds7

About N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide

N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 18163310) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
PubChem CID18163310
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C19H29N3O3/c1-4-5-8-20-18(23)14-21-9-11-22(12-10-21)19(24)16-7-6-15(2)17(13-16)25-3/h6-7,13H,4-5,8-12,14H2,1-3H3,(H,20,23)
InChIKeyQPJPGQWJOLMWHL-UHFFFAOYSA-N
XLogP1.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.68
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

N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18163262
N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 60512190
2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55429129
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
N-cyclohexyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 87017869
N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide
CID 43020080
2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 60512130
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78898984
N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 55828275
N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78900057
N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
CID 35358737
N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide
CID 46581225

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide (CID 18163310) is N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)c2ccc(C)c(OC)c2)CC1.
What is the InChIKey of N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is QPJPGQWJOLMWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-5-8-20-18(23)14-21-9-11-22(12-10-21)19(24)16-7-6-15(2)17(13-16)25-3/h6-7,13H,4-5,8-12,14H2,1-3H3,(H,20,23).
What are the key properties of N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18163310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).