N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide

C15H23N3O3 — CID 35358737

IUPACN-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C15H23N3O3/c1-2-3-5-16-14(19)11-17-6-8-18(9-7-17)15(20)13-4-10-21-12-13/h4,10,12H,2-3,5-9,11H2,1H3,(H,16,19)
InChIKeyBUQWTTGBMRPNON-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.95
Rot. Bonds6

About N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide

N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 35358737) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID35358737
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C15H23N3O3/c1-2-3-5-16-14(19)11-17-6-8-18(9-7-17)15(20)13-4-10-21-12-13/h4,10,12H,2-3,5-9,11H2,1H3,(H,16,19)
InChIKeyBUQWTTGBMRPNON-UHFFFAOYSA-N
XLogP0.95
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.95
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

2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide
CID 43020080
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide
CID 87016342
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 34833982
N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide
CID 46581225
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151705
N-butyl-2-[4-[4-(1,3-dithian-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 18163281
N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 27741719
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 34951684

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide (CID 35358737) is N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is BUQWTTGBMRPNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-3-5-16-14(19)11-17-6-8-18(9-7-17)15(20)13-4-10-21-12-13/h4,10,12H,2-3,5-9,11H2,1H3,(H,16,19).
What are the key properties of N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide?
N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 0.95, 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-(furan-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 35358737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).