1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one

C22H28N2O3 — CID 95556664

IUPAC1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc2cc([C@H]3CN(C(=O)CCN4CCCC4)CCO3)ccc2c1
InChIInChI=1S/C22H28N2O3/c1-26-20-7-6-17-14-19(5-4-18(17)15-20)21-16-24(12-13-27-21)22(25)8-11-23-9-2-3-10-23/h4-7,14-15,21H,2-3,8-13,16H2,1H3/t21-/m1/s1
InChIKeyYYOGOELBXNQDIS-OAQYLSRUSA-N
MW368.48 g/mol
LogP3.23
Rot. Bonds5

About 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one

1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 95556664) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
PubChem CID95556664
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc2cc([C@H]3CN(C(=O)CCN4CCCC4)CCO3)ccc2c1
InChIInChI=1S/C22H28N2O3/c1-26-20-7-6-17-14-19(5-4-18(17)15-20)21-16-24(12-13-27-21)22(25)8-11-23-9-2-3-10-23/h4-7,14-15,21H,2-3,8-13,16H2,1H3/t21-/m1/s1
InChIKeyYYOGOELBXNQDIS-OAQYLSRUSA-N
XLogP3.23
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 95556663
3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 154892310
N-[3-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-oxopropyl]acetamide
CID 95549089
[3-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-oxopropyl]urea
CID 95525209
1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride
CID 154892435
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
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
2-(4-hydroxyphenyl)-1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95545231
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione
CID 95545475
(1-aminocyclobutyl)-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone;hydrochloride
CID 154924796

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one (CID 95556664) is 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one is COc1ccc2cc([C@H]3CN(C(=O)CCN4CCCC4)CCO3)ccc2c1.
What is the InChIKey of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is YYOGOELBXNQDIS-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-20-7-6-17-14-19(5-4-18(17)15-20)21-16-24(12-13-27-21)22(25)8-11-23-9-2-3-10-23/h4-7,14-15,21H,2-3,8-13,16H2,1H3/t21-/m1/s1.
What are the key properties of 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one?
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 368.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 95556664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).