4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide

C26H34N2O3 — CID 100679278

IUPAC4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(OCCCN2CCCCC2)cc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C26H34N2O3/c29-25(26(14-20-30-21-15-26)22-8-3-1-4-9-22)27-23-10-12-24(13-11-23)31-19-7-18-28-16-5-2-6-17-28/h1,3-4,8-13H,2,5-7,14-21H2,(H,27,29)
InChIKeyHREHBWLXWCTHED-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.63
Rot. Bonds8

About 4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide

4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide (PubChem CID 100679278) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
PubChem CID100679278
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(OCCCN2CCCCC2)cc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C26H34N2O3/c29-25(26(14-20-30-21-15-26)22-8-3-1-4-9-22)27-23-10-12-24(13-11-23)31-19-7-18-28-16-5-2-6-17-28/h1,3-4,8-13H,2,5-7,14-21H2,(H,27,29)
InChIKeyHREHBWLXWCTHED-UHFFFAOYSA-N
XLogP4.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.63
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

N-[4-[3-(azepan-1-yl)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658483
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-phenylcyclohexane-1-carboxamide
CID 100669515
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683600
N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-4-phenyloxane-4-carboxamide
CID 100679341
4-(3-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]oxane-4-carboxamide
CID 100680832
N-[4-(2-bromoethoxy)phenyl]-4-phenyloxane-4-carboxamide
CID 100679083
1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100664752
4-(2,4-dichlorophenyl)-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 100686497
N-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-4-phenyloxane-4-carboxamide
CID 100679219
N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68577879
4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride
CID 68577604
1-(4-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100665527

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide (CID 100679278) is 4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide is O=C(Nc1ccc(OCCCN2CCCCC2)cc1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide?
The InChIKey is HREHBWLXWCTHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c29-25(26(14-20-30-21-15-26)22-8-3-1-4-9-22)27-23-10-12-24(13-11-23)31-19-7-18-28-16-5-2-6-17-28/h1,3-4,8-13H,2,5-7,14-21H2,(H,27,29).
What are the key properties of 4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide?
4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 100679278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).