N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide

C22H27N3O3 — CID 112984476

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)C3CCCO3)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-27-20-6-3-2-5-19(20)25-14-12-24(13-15-25)18-10-8-17(9-11-18)23-22(26)21-7-4-16-28-21/h2-3,5-6,8-11,21H,4,7,12-16H2,1H3,(H,23,26)
InChIKeyJLOKSKPYXOGBNS-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.14
Rot. Bonds5

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide (PubChem CID 112984476) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
PubChem CID112984476
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)C3CCCO3)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-27-20-6-3-2-5-19(20)25-14-12-24(13-15-25)18-10-8-17(9-11-18)23-22(26)21-7-4-16-28-21/h2-3,5-6,8-11,21H,4,7,12-16H2,1H3,(H,23,26)
InChIKeyJLOKSKPYXOGBNS-UHFFFAOYSA-N
XLogP3.14
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]acetamide
CID 44590474
(2S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 35893855
ethyl 4-[4-(oxolane-2-carbonylamino)phenyl]piperazine-1-carboxylate
CID 112984376
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 15999586
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 112502775
N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]oxolane-2-carboxamide
CID 112983505
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 110361978
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide
CID 112984474
N-phenyloxolane-2-carboxamide
CID 3453643
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide (CID 112984476) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide is COc1ccccc1N1CCN(c2ccc(NC(=O)C3CCCO3)cc2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide?
The InChIKey is JLOKSKPYXOGBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-27-20-6-3-2-5-19(20)25-14-12-24(13-15-25)18-10-8-17(9-11-18)23-22(26)21-7-4-16-28-21/h2-3,5-6,8-11,21H,4,7,12-16H2,1H3,(H,23,26).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 112984476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).