1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one

C20H29N3O3 — CID 119646587

IUPAC1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
SMILESCCNCC1CCN(C(=O)COc2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C20H29N3O3/c1-2-21-14-16-9-12-22(13-10-16)20(25)15-26-18-7-5-17(6-8-18)23-11-3-4-19(23)24/h5-8,16,21H,2-4,9-15H2,1H3
InChIKeyXMKLBKCSHKEEHG-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.04
Rot. Bonds7

About 1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one

1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one (PubChem CID 119646587) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
PubChem CID119646587
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
SMILESCCNCC1CCN(C(=O)COc2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C20H29N3O3/c1-2-21-14-16-9-12-22(13-10-16)20(25)15-26-18-7-5-17(6-8-18)23-11-3-4-19(23)24/h5-8,16,21H,2-4,9-15H2,1H3
InChIKeyXMKLBKCSHKEEHG-UHFFFAOYSA-N
XLogP2.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 99811441
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 119644698
1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 119561650
N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
CID 119439937
2-(3,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119645223
1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid
CID 119137800
1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one
CID 55429669
1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8650952
N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119570570
N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 75393801
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 119644268
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one (CID 119646587) is 1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one is CCNCC1CCN(C(=O)COc2ccc(N3CCCC3=O)cc2)CC1.
What is the InChIKey of 1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The InChIKey is XMKLBKCSHKEEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-21-14-16-9-12-22(13-10-16)20(25)15-26-18-7-5-17(6-8-18)23-11-3-4-19(23)24/h5-8,16,21H,2-4,9-15H2,1H3.
What are the key properties of 1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 119646587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).