N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide

C16H22N2O2 — CID 110862080

IUPACN-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1CCCOC1
InChIInChI=1S/C16H22N2O2/c19-16(13-4-3-11-20-12-13)17-14-5-7-15(8-6-14)18-9-1-2-10-18/h5-8,13H,1-4,9-12H2,(H,17,19)
InChIKeyGOWPBMXAVMTNML-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.65
Rot. Bonds3

About N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide

N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide (PubChem CID 110862080) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
PubChem CID110862080
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1CCCOC1
InChIInChI=1S/C16H22N2O2/c19-16(13-4-3-11-20-12-13)17-14-5-7-15(8-6-14)18-9-1-2-10-18/h5-8,13H,1-4,9-12H2,(H,17,19)
InChIKeyGOWPBMXAVMTNML-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-pyrrolidin-1-ylphenyl)oxane-3-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-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide
CID 110862273
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
CID 102557414
(3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 129377300
N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534
N-[4-(2-aminoethyl)phenyl]oxane-3-carboxamide
CID 63011148
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
5-(oxane-3-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62760125
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 71040468
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide
CID 63010280

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide?
The IUPAC name of N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide (CID 110862080) is N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)C1CCCOC1.
What is the InChIKey of N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide?
The InChIKey is GOWPBMXAVMTNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(13-4-3-11-20-12-13)17-14-5-7-15(8-6-14)18-9-1-2-10-18/h5-8,13H,1-4,9-12H2,(H,17,19).
What are the key properties of N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide?
N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide is sourced from PubChem (CID 110862080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).