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

C68H76N6O10 — CID 10441277

IUPAC1-[[(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
SMILESCCCN1C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1CNC(=O)Nc1cccc(NC(=O)NC[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)C(=O)N2CCC)c1
InChIInChI=1S/C68H76N6O10/c1-3-38-73-57(59(79-43-49-24-11-5-12-25-49)61(81-45-51-28-15-7-16-29-51)63(65(73)75)83-47-53-32-19-9-20-33-53)41-69-67(77)71-55-36-23-37-56(40-55)72-68(78)70-42-58-60(80-44-50-26-13-6-14-27-50)62(82-46-52-30-17-8-18-31-52)64(66(76)74(58)39-4-2)84-48-54-34-21-10-22-35-54/h5-37,40,57-64H,3-4,38-39,41-48H2,1-2H3,(H2,69,71,77)(H2,70,72,78)/t57-,58-,59-,60-,61+,62+,63-,64-/m1/s1
InChIKeyMZSGGSZAGUONOT-CBQLVJFTSA-N
MW1137.39 g/mol
LogP10.68
Rot. Bonds28

About 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

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 (PubChem CID 10441277) has the molecular formula C68H76N6O10 and a molecular weight of 1137.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[(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
PubChem CID10441277
Molecular FormulaC68H76N6O10
Molecular Weight1137.39 g/mol
Exact Mass1136.56
IUPAC Name1-[[(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
SMILESCCCN1C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1CNC(=O)Nc1cccc(NC(=O)NC[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)C(=O)N2CCC)c1
InChIInChI=1S/C68H76N6O10/c1-3-38-73-57(59(79-43-49-24-11-5-12-25-49)61(81-45-51-28-15-7-16-29-51)63(65(73)75)83-47-53-32-19-9-20-33-53)41-69-67(77)71-55-36-23-37-56(40-55)72-68(78)70-42-58-60(80-44-50-26-13-6-14-27-50)62(82-46-52-30-17-8-18-31-52)64(66(76)74(58)39-4-2)84-48-54-34-21-10-22-35-54/h5-37,40,57-64H,3-4,38-39,41-48H2,1-2H3,(H2,69,71,77)(H2,70,72,78)/t57-,58-,59-,60-,61+,62+,63-,64-/m1/s1
InChIKeyMZSGGSZAGUONOT-CBQLVJFTSA-N
XLogP10.68
TPSA178.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001137.39
LogP ≤ 510.68
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-[3-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]phenyl]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-[8-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]naphthalen-1-yl]urea
CID 11818722
1-[4-(trifluoromethyl)phenyl]-3-[[(2R,3R,4R,5R)-3,4,5-trihydroxy-6-oxo-1-propylpiperidin-2-yl]methyl]urea
CID 10001324
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766
1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 110413373
1-phenyl-3-(2-phenylmethoxyethyl)urea
CID 56923115
2-methylpropyl 6-[3-(ethylcarbamoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 5227089
ethyl 6-[3-(benzylcarbamoylamino)phenyl]-3-butyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661630
ethyl 6-[3-(benzylcarbamoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 3929938
N-[3-(phenylcarbamoylamino)phenyl]pentanamide
CID 51326660
[2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805318
2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid
CID 65219158
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339

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-[3-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]phenyl]urea?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN1C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1CNC(=O)Nc1cccc(NC(=O)NC[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)C(=O)N2CCC)c1.
What is the InChIKey of 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?
The InChIKey is MZSGGSZAGUONOT-CBQLVJFTSA-N. The full InChI is InChI=1S/C68H76N6O10/c1-3-38-73-57(59(79-43-49-24-11-5-12-25-49)61(81-45-51-28-15-7-16-29-51)63(65(73)75)83-47-53-32-19-9-20-33-53)41-69-67(77)71-55-36-23-37-56(40-55)72-68(78)70-42-58-60(80-44-50-26-13-6-14-27-50)62(82-46-52-30-17-8-18-31-52)64(66(76)74(58)39-4-2)84-48-54-34-21-10-22-35-54/h5-37,40,57-64H,3-4,38-39,41-48H2,1-2H3,(H2,69,71,77)(H2,70,72,78)/t57-,58-,59-,60-,61+,62+,63-,64-/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-[3-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]phenyl]urea?
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 has a molecular weight of 1137.39 g/mol, XLogP of 10.68, 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-[3-[[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]phenyl]urea is sourced from PubChem (CID 10441277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).