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

C75H83F4N7O7 — CID 90902099

IUPAC3-(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
SMILESCc1ccc(OC(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)cc1.Fc1ccc(C2COCCN2)cc1F.O=C(NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1)N1CCOCC1c1ccc(F)c(F)c1.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C31H35F2N3O2.C28H32N2O2.C10H11F2NO.C6H5NO2/c32-27-13-12-24(22-28(27)33)29-23-38-21-20-36(29)30(37)34-16-7-17-35-18-14-31(15-19-35,25-8-3-1-4-9-25)26-10-5-2-6-11-26;1-23-13-15-26(16-14-23)32-27(31)29-19-8-20-30-21-17-28(18-22-30,24-9-4-2-5-10-24)25-11-6-3-7-12-25;11-8-2-1-7(5-9(8)12)10-6-14-4-3-13-10;8-7(9)6-4-2-1-3-5-6/h1-6,8-13,22,29H,7,14-21,23H2,(H,34,37);2-7,9-16H,8,17-22H2,1H3,(H,29,31);1-2,5,10,13H,3-4,6H2;1-5H
InChIKeyPQKYGMKJGUHLGB-UHFFFAOYSA-N
MW1270.52 g/mol
LogP14.30
Rot. Bonds16

About 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

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 (PubChem CID 90902099) has the molecular formula C75H83F4N7O7 and a molecular weight of 1270.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID90902099
Molecular FormulaC75H83F4N7O7
Molecular Weight1270.52 g/mol
Exact Mass1269.63
IUPAC Name3-(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
SMILESCc1ccc(OC(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)cc1.Fc1ccc(C2COCCN2)cc1F.O=C(NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1)N1CCOCC1c1ccc(F)c(F)c1.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C31H35F2N3O2.C28H32N2O2.C10H11F2NO.C6H5NO2/c32-27-13-12-24(22-28(27)33)29-23-38-21-20-36(29)30(37)34-16-7-17-35-18-14-31(15-19-35,25-8-3-1-4-9-25)26-10-5-2-6-11-26;1-23-13-15-26(16-14-23)32-27(31)29-19-8-20-30-21-17-28(18-22-30,24-9-4-2-5-10-24)25-11-6-3-7-12-25;11-8-2-1-7(5-9(8)12)10-6-14-4-3-13-10;8-7(9)6-4-2-1-3-5-6/h1-6,8-13,22,29H,7,14-21,23H2,(H,34,37);2-7,9-16H,8,17-22H2,1H3,(H,29,31);1-2,5,10,13H,3-4,6H2;1-5H
InChIKeyPQKYGMKJGUHLGB-UHFFFAOYSA-N
XLogP14.30
TPSA150.78 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001270.52
LogP ≤ 514.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide
CID 142000825
3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide
CID 22977444
(4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate
CID 155782764
methyl 3-[3-[4-(4-methoxyphenyl)-4-phenylpiperidin-1-yl]propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate
CID 12988925
2-ethyl-6-methyl-3-N-[3-[4-(4-methylphenyl)-4-phenylpiperidin-1-yl]propyl]-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
CID 20642224
methyl 5-[3-(4,4-diphenylpiperidin-1-yl)propylcarbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate;hydrochloride
CID 56972175
4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[piperidine-4,9'-thioxanthene]-1-ylpropyl)-1,3-oxazolidine-3-carboxamide
CID 18740743
5-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-N,2,6-triethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide;methane
CID 159347263
5-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2,6-diethyl-3-N-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide;methane
CID 160647575
(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)-6-(methoxymethyl)-3-[3-[4-(1-methylpyrrol-2-yl)-4-phenylpiperidin-1-yl]propylcarbamoyl]-2-oxo-4,5-dihydropyrimidine-5-carboxylate
CID 57144469
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(OC(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)cc1.Fc1ccc(C2COCCN2)cc1F.O=C(NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1)N1CCOCC1c1ccc(F)c(F)c1.O=[N+]([O-])c1ccccc1.
What is the InChIKey of 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?
The InChIKey is PQKYGMKJGUHLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F2N3O2.C28H32N2O2.C10H11F2NO.C6H5NO2/c32-27-13-12-24(22-28(27)33)29-23-38-21-20-36(29)30(37)34-16-7-17-35-18-14-31(15-19-35,25-8-3-1-4-9-25)26-10-5-2-6-11-26;1-23-13-15-26(16-14-23)32-27(31)29-19-8-20-30-21-17-28(18-22-30,24-9-4-2-5-10-24)25-11-6-3-7-12-25;11-8-2-1-7(5-9(8)12)10-6-14-4-3-13-10;8-7(9)6-4-2-1-3-5-6/h1-6,8-13,22,29H,7,14-21,23H2,(H,34,37);2-7,9-16H,8,17-22H2,1H3,(H,29,31);1-2,5,10,13H,3-4,6H2;1-5H.
What are the key properties of 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?
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 has a molecular weight of 1270.52 g/mol, XLogP of 14.30, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90902099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).