(2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone

C20H26N2O3 — CID 97038933

IUPAC(2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C20H26N2O3/c1-3-25-18-9-8-16-6-4-5-7-17(16)19(18)20(24)22-12-10-21(11-13-22)14-15(2)23/h4-9,15,23H,3,10-14H2,1-2H3/t15-/m1/s1
InChIKeyJBEHGODXOSCANZ-OAHLLOKOSA-N
MW342.44 g/mol
LogP2.38
Rot. Bonds5

About (2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone

(2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone (PubChem CID 97038933) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
PubChem CID97038933
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C20H26N2O3/c1-3-25-18-9-8-16-6-4-5-7-17(16)19(18)20(24)22-12-10-21(11-13-22)14-15(2)23/h4-9,15,23H,3,10-14H2,1-2H3/t15-/m1/s1
InChIKeyJBEHGODXOSCANZ-OAHLLOKOSA-N
XLogP2.38
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxynaphthalen-1-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 52907337
(2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone
CID 122332035
benzyl 2-[4-(2-ethoxynaphthalene-1-carbonyl)-1,4-diazepan-1-yl]acetate
CID 3262319
(2-ethoxynaphthalen-1-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060296
(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584648
(2-ethoxynaphthalen-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 121130971
(2-ethoxynaphthalen-1-yl)-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982544
(2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626469
N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 9497386
(2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95613064
2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide
CID 91812891
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831

Frequently Asked Questions

What is the IUPAC name of (2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The IUPAC name of (2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone (CID 97038933) is (2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone is CCOc1ccc2ccccc2c1C(=O)N1CCN(C[C@@H](C)O)CC1.
What is the InChIKey of (2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The InChIKey is JBEHGODXOSCANZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-25-18-9-8-16-6-4-5-7-17(16)19(18)20(24)22-12-10-21(11-13-22)14-15(2)23/h4-9,15,23H,3,10-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
(2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxynaphthalen-1-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 97038933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).