(4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone

C22H32N2O3 — CID 155505780

IUPAC(4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
SMILESO=C(C1CCC(O)CC1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H32N2O3/c25-19-10-8-18(9-11-19)22(26)24-14-15-27-20(16-23-12-4-5-13-23)21(24)17-6-2-1-3-7-17/h1-3,6-7,18-21,25H,4-5,8-16H2/t18?,19?,20-,21-/m0/s1
InChIKeyHJCMTKGNSJPYFD-JSRAGOMMSA-N
MW372.51 g/mol
LogP2.60
Rot. Bonds4

About (4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone

(4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone (PubChem CID 155505780) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is (4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
PubChem CID155505780
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name(4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
SMILESO=C(C1CCC(O)CC1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H32N2O3/c25-19-10-8-18(9-11-19)22(26)24-14-15-27-20(16-23-12-4-5-13-23)21(24)17-6-2-1-3-7-17/h1-3,6-7,18-21,25H,4-5,8-16H2/t18?,19?,20-,21-/m0/s1
InChIKeyHJCMTKGNSJPYFD-JSRAGOMMSA-N
XLogP2.60
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]-(1-methylpiperidin-4-yl)methanone
CID 154818944
3-cyclobutyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 155507576
2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride
CID 155940011
5-oxo-5-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentanamide
CID 155497327
4-amino-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 155505419
4-methyl-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]pentan-1-one
CID 155504432
[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]urea
CID 155493453
2-[4-(hydroxymethyl)phenyl]-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155510119
2-ethoxy-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone
CID 155496818
(4-hydroxy-2-methylphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155495519
(3-fluoro-4-pyridinyl)-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]methanone
CID 155509773
(2-methoxyphenyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 154816760

Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?
The IUPAC name of (4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone (CID 155505780) is (4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone is O=C(C1CCC(O)CC1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1.
What is the InChIKey of (4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?
The InChIKey is HJCMTKGNSJPYFD-JSRAGOMMSA-N. The full InChI is InChI=1S/C22H32N2O3/c25-19-10-8-18(9-11-19)22(26)24-14-15-27-20(16-23-12-4-5-13-23)21(24)17-6-2-1-3-7-17/h1-3,6-7,18-21,25H,4-5,8-16H2/t18?,19?,20-,21-/m0/s1.
What are the key properties of (4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?
(4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone has a molecular weight of 372.51 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexyl)-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 155505780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).