N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide

C31H37FN3O2P — CID 142000825

IUPACN-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide
SMILESO=C(NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1)N1CCOCC1c1ccc(F)c(P)c1
InChIInChI=1S/C31H37FN3O2P/c32-27-13-12-24(22-29(27)38)28-23-37-21-20-35(28)30(36)33-16-7-17-34-18-14-31(15-19-34,25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-13,22,28H,7,14-21,23,38H2,(H,33,36)
InChIKeyXRXIUPGUSWPFRC-UHFFFAOYSA-N
MW533.63 g/mol
LogP4.88
Rot. Bonds7

About N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide

N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide (PubChem CID 142000825) has the molecular formula C31H37FN3O2P and a molecular weight of 533.63 g/mol. Its IUPAC name is N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide
PubChem CID142000825
Molecular FormulaC31H37FN3O2P
Molecular Weight533.63 g/mol
Exact Mass533.26
IUPAC NameN-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide
SMILESO=C(NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1)N1CCOCC1c1ccc(F)c(P)c1
InChIInChI=1S/C31H37FN3O2P/c32-27-13-12-24(22-29(27)38)28-23-37-21-20-35(28)30(36)33-16-7-17-34-18-14-31(15-19-34,25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-13,22,28H,7,14-21,23,38H2,(H,33,36)
InChIKeyXRXIUPGUSWPFRC-UHFFFAOYSA-N
XLogP4.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.63
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide
CID 22977444
3-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]morpholine-4-carboxamide;3-(3,4-difluorophenyl)morpholine;(4-methylphenyl) N-[3-(4,4-diphenylpiperidin-1-yl)propyl]carbamate;nitrobenzene
CID 90902099
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide
CID 22993453
4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[piperidine-4,9'-thioxanthene]-1-ylpropyl)-1,3-oxazolidine-3-carboxamide
CID 18740743
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide
CID 139908161
(4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 10281391
methyl 4-(3,4-difluorophenyl)-3-[3-[4-(furan-2-yl)-4-phenylpiperidin-1-yl]propylcarbamoyl]-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate
CID 70119586
(2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide
CID 126450255
methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3-[3-[4-(1-methylpyrrol-2-yl)-4-phenylpiperidin-1-yl]propylcarbamoyl]-2-oxo-4,5-dihydropyrimidine-5-carboxylate
CID 57144469
N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide
CID 110748599
4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid
CID 129468648
(2S)-N-[3-[4-cyano-4-(2-cyanophenyl)piperidin-1-yl]propyl]-2-(3,4-difluorophenyl)-6-oxopiperidine-1-carboxamide;hydrochloride
CID 20709240

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide?
The IUPAC name of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide (CID 142000825) is N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide?
The canonical SMILES for N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide is O=C(NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1)N1CCOCC1c1ccc(F)c(P)c1.
What is the InChIKey of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide?
The InChIKey is XRXIUPGUSWPFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN3O2P/c32-27-13-12-24(22-29(27)38)28-23-37-21-20-35(28)30(36)33-16-7-17-34-18-14-31(15-19-34,25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-13,22,28H,7,14-21,23,38H2,(H,33,36).
What are the key properties of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide?
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide has a molecular weight of 533.63 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 142000825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).