1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride

C21H28ClN3O3 — CID 154892435

IUPAC1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride
SMILESCOc1ccc2cc(C3CN(C(=O)CN4CCNCC4)CCO3)ccc2c1.Cl
InChIInChI=1S/C21H27N3O3.ClH/c1-26-19-5-4-16-12-18(3-2-17(16)13-19)20-14-24(10-11-27-20)21(25)15-23-8-6-22-7-9-23;/h2-5,12-13,20,22H,6-11,14-15H2,1H3;1H
InChIKeyRKXVTDGWZZBXKB-UHFFFAOYSA-N
MW405.93 g/mol
LogP2.08
Rot. Bonds4

About 1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride

1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride (PubChem CID 154892435) has the molecular formula C21H28ClN3O3 and a molecular weight of 405.93 g/mol. Its IUPAC name is 1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride
PubChem CID154892435
Molecular FormulaC21H28ClN3O3
Molecular Weight405.93 g/mol
Exact Mass405.18
IUPAC Name1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride
SMILESCOc1ccc2cc(C3CN(C(=O)CN4CCNCC4)CCO3)ccc2c1.Cl
InChIInChI=1S/C21H27N3O3.ClH/c1-26-19-5-4-16-12-18(3-2-17(16)13-19)20-14-24(10-11-27-20)21(25)15-23-8-6-22-7-9-23;/h2-5,12-13,20,22H,6-11,14-15H2,1H3;1H
InChIKeyRKXVTDGWZZBXKB-UHFFFAOYSA-N
XLogP2.08
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 154892310
2-(4-hydroxyphenyl)-1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95545231
1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 95556663
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 95556664
N-[3-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-oxopropyl]acetamide
CID 95549089
2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95455738
methyl N-[2-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-oxoethyl]carbamate
CID 95463844
[3-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-oxopropyl]urea
CID 95525209
1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
CID 95562775
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
CID 95562776
(1-aminocyclobutyl)-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone;hydrochloride
CID 154924796
methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate
CID 95558883

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride (CID 154892435) is 1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride is COc1ccc2cc(C3CN(C(=O)CN4CCNCC4)CCO3)ccc2c1.Cl.
What is the InChIKey of 1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride?
The InChIKey is RKXVTDGWZZBXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3.ClH/c1-26-19-5-4-16-12-18(3-2-17(16)13-19)20-14-24(10-11-27-20)21(25)15-23-8-6-22-7-9-23;/h2-5,12-13,20,22H,6-11,14-15H2,1H3;1H.
What are the key properties of 1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride?
1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride has a molecular weight of 405.93 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 154892435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).