(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone

C18H26N2O3 — CID 70760152

IUPAC(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone
SMILESCC1(C)CN(C(=O)c2ccccc2N2CCOCC2)CC1(C)O
InChIInChI=1S/C18H26N2O3/c1-17(2)12-20(13-18(17,3)22)16(21)14-6-4-5-7-15(14)19-8-10-23-11-9-19/h4-7,22H,8-13H2,1-3H3
InChIKeyOYXFHNYCZDEOOT-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.76
Rot. Bonds2

About (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone

(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone (PubChem CID 70760152) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone
PubChem CID70760152
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone
SMILESCC1(C)CN(C(=O)c2ccccc2N2CCOCC2)CC1(C)O
InChIInChI=1S/C18H26N2O3/c1-17(2)12-20(13-18(17,3)22)16(21)14-6-4-5-7-15(14)19-8-10-23-11-9-19/h4-7,22H,8-13H2,1-3H3
InChIKeyOYXFHNYCZDEOOT-UHFFFAOYSA-N
XLogP1.76
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95321116
7-methyl-2-(2-morpholin-4-ylbenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922576
(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148963
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone
CID 70716556
(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylbenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 163314978
[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 119486562
(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 70747258
[(3S,4R)-3-amino-4-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 138016150
2-morpholin-4-ylbenzohydrazide
CID 7148386
[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 166621358
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone
CID 91789631

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone?
The IUPAC name of (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone (CID 70760152) is (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone?
The canonical SMILES for (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone is CC1(C)CN(C(=O)c2ccccc2N2CCOCC2)CC1(C)O.
What is the InChIKey of (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone?
The InChIKey is OYXFHNYCZDEOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-17(2)12-20(13-18(17,3)22)16(21)14-6-4-5-7-15(14)19-8-10-23-11-9-19/h4-7,22H,8-13H2,1-3H3.
What are the key properties of (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone?
(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone has a molecular weight of 318.42 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 70760152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).