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

C16H22N2O2 — CID 30795120

IUPACN-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1CCOCC1
InChIInChI=1S/C16H22N2O2/c19-16(13-7-11-20-12-8-13)17-14-3-5-15(6-4-14)18-9-1-2-10-18/h3-6,13H,1-2,7-12H2,(H,17,19)
InChIKeyDITPROCCZFQOJT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.65
Rot. Bonds3

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

N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide (PubChem CID 30795120) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
PubChem CID30795120
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1CCOCC1
InChIInChI=1S/C16H22N2O2/c19-16(13-7-11-20-12-8-13)17-14-3-5-15(6-4-14)18-9-1-2-10-18/h3-6,13H,1-2,7-12H2,(H,17,19)
InChIKeyDITPROCCZFQOJT-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'}

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113049774
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 71040468
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088
N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
CID 31962865
N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide
CID 110862273

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide?
The IUPAC name of N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide (CID 30795120) is N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)C1CCOCC1.
What is the InChIKey of N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide?
The InChIKey is DITPROCCZFQOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(13-7-11-20-12-8-13)17-14-3-5-15(6-4-14)18-9-1-2-10-18/h3-6,13H,1-2,7-12H2,(H,17,19).
What are the key properties of N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide?
N-(4-pyrrolidin-1-ylphenyl)oxane-4-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-4-carboxamide is sourced from PubChem (CID 30795120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).