N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide

C19H27N3O3 — CID 46581225

IUPACN-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C19H27N3O3/c1-2-3-7-20-18(23)14-21-8-10-22(11-9-21)19(24)16-4-5-17-15(13-16)6-12-25-17/h4-5,13H,2-3,6-12,14H2,1H3,(H,20,23)
InChIKeyOLIOBCXQXKMJFX-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.30
Rot. Bonds6

About N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide

N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide (PubChem CID 46581225) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide
PubChem CID46581225
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C19H27N3O3/c1-2-3-7-20-18(23)14-21-8-10-22(11-9-21)19(24)16-4-5-17-15(13-16)6-12-25-17/h4-5,13H,2-3,6-12,14H2,1H3,(H,20,23)
InChIKeyOLIOBCXQXKMJFX-UHFFFAOYSA-N
XLogP1.30
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.30
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-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide
CID 43020080
N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
CID 35358737
N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride
CID 17420279
2-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylacetamide
CID 9127399
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 110814917
N-butyl-2-[4-[4-(1,3-dithian-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 18163281
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802210
N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide
CID 35358956

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide (CID 46581225) is N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCO3)CC1.
What is the InChIKey of N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is OLIOBCXQXKMJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-3-7-20-18(23)14-21-8-10-22(11-9-21)19(24)16-4-5-17-15(13-16)6-12-25-17/h4-5,13H,2-3,6-12,14H2,1H3,(H,20,23).
What are the key properties of N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide?
N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46581225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).