N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide

C17H23N3O3 — CID 113078283

IUPACN-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-13(21)18-14-4-6-15(7-5-14)19-8-10-20(11-9-19)17(22)16-3-2-12-23-16/h4-7,16H,2-3,8-12H2,1H3,(H,18,21)
InChIKeyKTBIUMJFSHOOLU-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.47
Rot. Bonds3

About N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide

N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide (PubChem CID 113078283) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide
PubChem CID113078283
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-13(21)18-14-4-6-15(7-5-14)19-8-10-20(11-9-19)17(22)16-3-2-12-23-16/h4-7,16H,2-3,8-12H2,1H3,(H,18,21)
InChIKeyKTBIUMJFSHOOLU-UHFFFAOYSA-N
XLogP1.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47098482
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113004957
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
[4-(4-nitrophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2861887
N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
CID 55347361
ethyl 4-[4-(oxolane-2-carbonylamino)phenyl]piperazine-1-carboxylate
CID 112984376
oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
CID 110662200
N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide (CID 113078283) is N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2CCN(C(=O)C3CCCO3)CC2)cc1.
What is the InChIKey of N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is KTBIUMJFSHOOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13(21)18-14-4-6-15(7-5-14)19-8-10-20(11-9-19)17(22)16-3-2-12-23-16/h4-7,16H,2-3,8-12H2,1H3,(H,18,21).
What are the key properties of N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide?
N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 113078283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).