1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea

C72H78N6O10 — CID 11818722

IUPAC1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea
SMILESCCCN1C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1CNC(=O)Nc1cccc2cccc(NC(=O)NC[C@@H]3[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)C(=O)N3CCC)c12
InChIInChI=1S/C72H78N6O10/c1-3-41-77-60(63(83-45-51-25-11-5-12-26-51)65(85-47-53-29-15-7-16-30-53)67(69(77)79)87-49-55-33-19-9-20-34-55)43-73-71(81)75-58-39-23-37-57-38-24-40-59(62(57)58)76-72(82)74-44-61-64(84-46-52-27-13-6-14-28-52)66(86-48-54-31-17-8-18-32-54)68(70(80)78(61)42-4-2)88-50-56-35-21-10-22-36-56/h5-40,60-61,63-68H,3-4,41-50H2,1-2H3,(H2,73,75,81)(H2,74,76,82)/t60-,61-,63-,64-,65+,66+,67-,68-/m1/s1
InChIKeyRRIQIFJFJGCYQC-QMMCMVCHSA-N
MW1187.45 g/mol
LogP11.84
Rot. Bonds28

About 1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea

1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea (PubChem CID 11818722) has the molecular formula C72H78N6O10 and a molecular weight of 1187.45 g/mol. Its IUPAC name is 1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea.

Molecular Properties

Compound Name1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea
PubChem CID11818722
Molecular FormulaC72H78N6O10
Molecular Weight1187.45 g/mol
Exact Mass1186.58
IUPAC Name1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea
SMILESCCCN1C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1CNC(=O)Nc1cccc2cccc(NC(=O)NC[C@@H]3[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)C(=O)N3CCC)c12
InChIInChI=1S/C72H78N6O10/c1-3-41-77-60(63(83-45-51-25-11-5-12-26-51)65(85-47-53-29-15-7-16-30-53)67(69(77)79)87-49-55-33-19-9-20-34-55)43-73-71(81)75-58-39-23-37-57-38-24-40-59(62(57)58)76-72(82)74-44-61-64(84-46-52-27-13-6-14-28-52)66(86-48-54-31-17-8-18-32-54)68(70(80)78(61)42-4-2)88-50-56-35-21-10-22-36-56/h5-40,60-61,63-68H,3-4,41-50H2,1-2H3,(H2,73,75,81)(H2,74,76,82)/t60-,61-,63-,64-,65+,66+,67-,68-/m1/s1
InChIKeyRRIQIFJFJGCYQC-QMMCMVCHSA-N
XLogP11.84
TPSA178.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001187.45
LogP ≤ 511.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea with MolForge

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Related Compounds

1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[3-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]phenyl]urea
CID 10441277
(2R,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-one
CID 45157418
butyl 2-(cyclopentylmethylcarbamoylamino)benzoate
CID 108902547
1-[4-(trifluoromethyl)phenyl]-3-[[(2R,3R,4R,5R)-3,4,5-trihydroxy-6-oxo-1-propylpiperidin-2-yl]methyl]urea
CID 10001324
(3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one
CID 164662534
methyl 2-(2-phenylethylcarbamoylamino)benzoate
CID 3813760
[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 155351672
1-(2-benzylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 71876765
methyl (2S)-2-hydroxy-2-[(2R,3S,4R)-5-oxo-3,4-bis(phenylmethoxy)oxolan-2-yl]acetate
CID 102573561
methyl (E)-4-[(2R,3S)-2-ethynyl-4-oxo-3-phenylmethoxyazetidin-1-yl]but-2-enoate
CID 10804085
2-(dodecylcarbamoylamino)benzoic acid
CID 150660429
1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47201043

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea?
The IUPAC name of 1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea (CID 11818722) is 1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea.
What is the SMILES notation for 1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea?
The canonical SMILES for 1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea is CCCN1C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1CNC(=O)Nc1cccc2cccc(NC(=O)NC[C@@H]3[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)C(=O)N3CCC)c12.
What is the InChIKey of 1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea?
The InChIKey is RRIQIFJFJGCYQC-QMMCMVCHSA-N. The full InChI is InChI=1S/C72H78N6O10/c1-3-41-77-60(63(83-45-51-25-11-5-12-26-51)65(85-47-53-29-15-7-16-30-53)67(69(77)79)87-49-55-33-19-9-20-34-55)43-73-71(81)75-58-39-23-37-57-38-24-40-59(62(57)58)76-72(82)74-44-61-64(84-46-52-27-13-6-14-28-52)66(86-48-54-31-17-8-18-32-54)68(70(80)78(61)42-4-2)88-50-56-35-21-10-22-36-56/h5-40,60-61,63-68H,3-4,41-50H2,1-2H3,(H2,73,75,81)(H2,74,76,82)/t60-,61-,63-,64-,65+,66+,67-,68-/m1/s1.
What are the key properties of 1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea?
1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea has a molecular weight of 1187.45 g/mol, XLogP of 11.84, 28 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea is sourced from PubChem (CID 11818722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).