4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide

C31H39Cl2FN4O3 — CID 69339398

IUPAC4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(N2CCCCC2CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(c3ccc(F)cc3)C(=O)CO2)CCNCC1
InChIInChI=1S/C31H39Cl2FN4O3/c1-36(2)29(40)30(14-16-35-17-15-30)38-18-4-3-5-25(38)12-13-31(22-6-11-26(32)27(33)19-22)21-37(28(39)20-41-31)24-9-7-23(34)8-10-24/h6-11,19,25,35H,3-5,12-18,20-21H2,1-2H3/t25?,31-/m0/s1
InChIKeyQNTZZAYDVXFBSP-KHTLXAHUSA-N
MW605.58 g/mol
LogP5.24
Rot. Bonds7

About 4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide

4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 69339398) has the molecular formula C31H39Cl2FN4O3 and a molecular weight of 605.58 g/mol. Its IUPAC name is 4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID69339398
Molecular FormulaC31H39Cl2FN4O3
Molecular Weight605.58 g/mol
Exact Mass604.24
IUPAC Name4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(N2CCCCC2CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(c3ccc(F)cc3)C(=O)CO2)CCNCC1
InChIInChI=1S/C31H39Cl2FN4O3/c1-36(2)29(40)30(14-16-35-17-15-30)38-18-4-3-5-25(38)12-13-31(22-6-11-26(32)27(33)19-22)21-37(28(39)20-41-31)24-9-7-23(34)8-10-24/h6-11,19,25,35H,3-5,12-18,20-21H2,1-2H3/t25?,31-/m0/s1
InChIKeyQNTZZAYDVXFBSP-KHTLXAHUSA-N
XLogP5.24
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.58
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-2-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethyl]-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 44528717
N-[1-{2-[(2R)-2-(3,4-Dichlorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl}-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 53316389
butanedioic acid;N-[1-[2-[(2R)-2-(3,4-dichlorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 60196411
(+)-N-[1-{2-[2-(3,4-Dichlorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl}-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 11505215
2-(3,4-dichlorophenyl)-4-(6-fluoro-1-methyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1'-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 59763442
N-[1-[2-[2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide
CID 67012453
N-[1-[2-[2-(3,4-dichlorophenyl)-5-oxo-4-phenylmorpholin-2-yl]ethyl]-4-(3,4-difluorophenyl)piperidin-4-yl]acetamide
CID 67012503
6-(3,4-Dichlorophenyl)-6-[2-[4-(3,4-difluorophenyl)-4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one
CID 67012589
N-[1-[2-[2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-(3,4-difluorophenyl)piperidin-4-yl]acetamide
CID 67012922
6-(3,4-Dichlorophenyl)-6-[2-[4-(4-fluorophenyl)-4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one
CID 67013401
N-[1-[2-[2-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide
CID 67013721
6-(3,4-Dichlorophenyl)-6-[2-[4-(3-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-4-phenylmorpholin-3-one
CID 68829209

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide (CID 69339398) is 4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1(N2CCCCC2CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(c3ccc(F)cc3)C(=O)CO2)CCNCC1.
What is the InChIKey of 4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is QNTZZAYDVXFBSP-KHTLXAHUSA-N. The full InChI is InChI=1S/C31H39Cl2FN4O3/c1-36(2)29(40)30(14-16-35-17-15-30)38-18-4-3-5-25(38)12-13-31(22-6-11-26(32)27(33)19-22)21-37(28(39)20-41-31)24-9-7-23(34)8-10-24/h6-11,19,25,35H,3-5,12-18,20-21H2,1-2H3/t25?,31-/m0/s1.
What are the key properties of 4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide?
4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 605.58 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-5-oxomorpholin-2-yl]ethyl]piperidin-1-yl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 69339398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).