3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile

C19H25N3O3 — CID 95176288

IUPAC3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
SMILESN#Cc1cccc(OCCN2CCCC[C@@H]2C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H25N3O3/c20-15-16-4-3-5-17(14-16)25-13-10-21-7-2-1-6-18(21)19(23)22-8-11-24-12-9-22/h3-5,14,18H,1-2,6-13H2/t18-/m1/s1
InChIKeyBJFXXRGZDZJAKZ-GOSISDBHSA-N
MW343.43 g/mol
LogP1.65
Rot. Bonds5

About 3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile

3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile (PubChem CID 95176288) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
PubChem CID95176288
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
SMILESN#Cc1cccc(OCCN2CCCC[C@@H]2C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H25N3O3/c20-15-16-4-3-5-17(14-16)25-13-10-21-7-2-1-6-18(21)19(23)22-8-11-24-12-9-22/h3-5,14,18H,1-2,6-13H2/t18-/m1/s1
InChIKeyBJFXXRGZDZJAKZ-GOSISDBHSA-N
XLogP1.65
TPSA65.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-1-[3-(3-cyanophenoxy)propyl]pyrrolidine-2-carboxylate
CID 97062500
3-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethoxy]benzonitrile
CID 61356563
2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide
CID 97228605
3-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]benzonitrile
CID 62123204
4-[3-(3-cyanophenoxy)propyl]-N-methyl-1-(morpholine-4-carbonyl)piperazine-2-carboxamide
CID 24733789
1-[2-(3-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 43441222
3-[2-(3-oxomorpholin-4-yl)ethoxy]benzonitrile
CID 79468674
[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 136522970
1-[2-(3-bromophenoxy)ethyl]azepane-2-carboxylic acid
CID 64561789
[1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 166220087
3-[2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethoxy]benzonitrile
CID 95285974
3-[2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 86953423

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile?
The IUPAC name of 3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile (CID 95176288) is 3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile.
What is the SMILES notation for 3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile?
The canonical SMILES for 3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile is N#Cc1cccc(OCCN2CCCC[C@@H]2C(=O)N2CCOCC2)c1.
What is the InChIKey of 3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile?
The InChIKey is BJFXXRGZDZJAKZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3O3/c20-15-16-4-3-5-17(14-16)25-13-10-21-7-2-1-6-18(21)19(23)22-8-11-24-12-9-22/h3-5,14,18H,1-2,6-13H2/t18-/m1/s1.
What are the key properties of 3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile?
3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile has a molecular weight of 343.43 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile is sourced from PubChem (CID 95176288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).