[(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone

C23H35N3O3 — CID 56852374

IUPAC[(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C([C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccc(O)cc2)C1)N1CCCCC1
InChIInChI=1S/C23H35N3O3/c27-22-6-4-19(5-7-22)15-25-17-20(16-24-10-12-29-13-11-24)14-21(18-25)23(28)26-8-2-1-3-9-26/h4-7,20-21,27H,1-3,8-18H2/t20-,21-/m1/s1
InChIKeyGBSGIUSNDSWYQN-NHCUHLMSSA-N
MW401.55 g/mol
LogP2.17
Rot. Bonds5

About [(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone

[(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 56852374) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is [(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID56852374
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name[(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C([C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccc(O)cc2)C1)N1CCCCC1
InChIInChI=1S/C23H35N3O3/c27-22-6-4-19(5-7-22)15-25-17-20(16-24-10-12-29-13-11-24)14-21(18-25)23(28)26-8-2-1-3-9-26/h4-7,20-21,27H,1-3,8-18H2/t20-,21-/m1/s1
InChIKeyGBSGIUSNDSWYQN-NHCUHLMSSA-N
XLogP2.17
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 56860823
[(3R,5S)-5-[(3-fluorophenoxy)methyl]-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56857310
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
(3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 56853685
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
(3S,5S)-1-(pyridin-4-ylmethyl)-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 56876327
[(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 131902956
[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165432911
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 883926

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone (CID 56852374) is [(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone is O=C([C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccc(O)cc2)C1)N1CCCCC1.
What is the InChIKey of [(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is GBSGIUSNDSWYQN-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H35N3O3/c27-22-6-4-19(5-7-22)15-25-17-20(16-24-10-12-29-13-11-24)14-21(18-25)23(28)26-8-2-1-3-9-26/h4-7,20-21,27H,1-3,8-18H2/t20-,21-/m1/s1.
What are the key properties of [(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone?
[(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 401.55 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56852374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).