1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one

C18H25N3O4 — CID 70713784

IUPAC1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one
SMILESCOc1ccc(CN2CCN(C(=O)CC3CNCCO3)CC2=O)cc1
InChIInChI=1S/C18H25N3O4/c1-24-15-4-2-14(3-5-15)12-20-7-8-21(13-18(20)23)17(22)10-16-11-19-6-9-25-16/h2-5,16,19H,6-13H2,1H3
InChIKeyIVJNCKAYBALWNR-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.24
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one

1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one (PubChem CID 70713784) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one
PubChem CID70713784
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one
SMILESCOc1ccc(CN2CCN(C(=O)CC3CNCCO3)CC2=O)cc1
InChIInChI=1S/C18H25N3O4/c1-24-15-4-2-14(3-5-15)12-20-7-8-21(13-18(20)23)17(22)10-16-11-19-6-9-25-16/h2-5,16,19H,6-13H2,1H3
InChIKeyIVJNCKAYBALWNR-UHFFFAOYSA-N
XLogP0.24
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one
CID 126447577
2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97282409
1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone
CID 97438500
1-cyclopropyl-4-(2-morpholin-2-ylacetyl)piperazin-2-one
CID 119788577
1-[(4-methoxyphenyl)methyl]-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
CID 118779086
methyl N-[1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 70760409
1-[(4-methoxyphenyl)methyl]-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97210382
2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97127014
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
CID 70767558
3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 119754722
1-[(4-methoxyphenyl)methyl]-4-[[(3S)-piperidin-3-yl]methyl]piperazin-2-one
CID 95863305

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one (CID 70713784) is 1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one is COc1ccc(CN2CCN(C(=O)CC3CNCCO3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one?
The InChIKey is IVJNCKAYBALWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-15-4-2-14(3-5-15)12-20-7-8-21(13-18(20)23)17(22)10-16-11-19-6-9-25-16/h2-5,16,19H,6-13H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one?
1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one has a molecular weight of 347.42 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one is sourced from PubChem (CID 70713784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).