(2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide

C19H25N3O3 — CID 129489237

IUPAC(2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
SMILESN#Cc1ccccc1OCCN1CCC([C@@H](O)C(=O)NC2CC2)CC1
InChIInChI=1S/C19H25N3O3/c20-13-15-3-1-2-4-17(15)25-12-11-22-9-7-14(8-10-22)18(23)19(24)21-16-5-6-16/h1-4,14,16,18,23H,5-12H2,(H,21,24)/t18-/m1/s1
InChIKeyKJHADIUWWHJIOJ-GOSISDBHSA-N
MW343.43 g/mol
LogP1.29
Rot. Bonds7

About (2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide

(2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide (PubChem CID 129489237) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
PubChem CID129489237
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
SMILESN#Cc1ccccc1OCCN1CCC([C@@H](O)C(=O)NC2CC2)CC1
InChIInChI=1S/C19H25N3O3/c20-13-15-3-1-2-4-17(15)25-12-11-22-9-7-14(8-10-22)18(23)19(24)21-16-5-6-16/h1-4,14,16,18,23H,5-12H2,(H,21,24)/t18-/m1/s1
InChIKeyKJHADIUWWHJIOJ-GOSISDBHSA-N
XLogP1.29
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714068
1-[2-(2-cyanophenoxy)ethyl]piperidine-4-carboxamide
CID 43288683
(2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129490147
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]acetamide
CID 129490273
2-[2-(3,4-dihydroxypyrrolidin-1-yl)ethoxy]benzonitrile
CID 106669436
(2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129490029
1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359827
N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469462
(2S)-2-[1-[2-(3-cyanophenoxy)ethyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129489911
2-[4-(4-methylpiperazin-1-yl)butoxy]benzonitrile;hydrochloride
CID 2992837
2-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethoxy]benzonitrile
CID 49234217
1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The IUPAC name of (2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide (CID 129489237) is (2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide.
What is the SMILES notation for (2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The canonical SMILES for (2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide is N#Cc1ccccc1OCCN1CCC([C@@H](O)C(=O)NC2CC2)CC1.
What is the InChIKey of (2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The InChIKey is KJHADIUWWHJIOJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3O3/c20-13-15-3-1-2-4-17(15)25-12-11-22-9-7-14(8-10-22)18(23)19(24)21-16-5-6-16/h1-4,14,16,18,23H,5-12H2,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
(2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide has a molecular weight of 343.43 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[2-(2-cyanophenoxy)ethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide is sourced from PubChem (CID 129489237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).