1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one

C20H29N3O3 — CID 70744765

IUPAC1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CC3CN(C(C)C)CCO3)CC2=O)cc1
InChIInChI=1S/C20H29N3O3/c1-15(2)21-10-11-26-18(13-21)12-19(24)22-8-9-23(20(25)14-22)17-6-4-16(3)5-7-17/h4-7,15,18H,8-14H2,1-3H3
InChIKeyVZYFGKNBCLLQSU-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.67
Rot. Bonds4

About 1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one

1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one (PubChem CID 70744765) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one
PubChem CID70744765
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CC3CN(C(C)C)CCO3)CC2=O)cc1
InChIInChI=1S/C20H29N3O3/c1-15(2)21-10-11-26-18(13-21)12-19(24)22-8-9-23(20(25)14-22)17-6-4-16(3)5-7-17/h4-7,15,18H,8-14H2,1-3H3
InChIKeyVZYFGKNBCLLQSU-UHFFFAOYSA-N
XLogP1.67
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one
CID 96573400
1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one
CID 96579737
4-[2-(azepan-1-yl)propanoyl]-1-(4-methylphenyl)piperazin-2-one
CID 70776563
5-[2-[4-(4-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 70736014
1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 70772622
4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 96580689
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
3-[5-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56896836
2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 118781326
1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 70718975
4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one
CID 96574232
4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 126806779

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one (CID 70744765) is 1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one is Cc1ccc(N2CCN(C(=O)CC3CN(C(C)C)CCO3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one?
The InChIKey is VZYFGKNBCLLQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15(2)21-10-11-26-18(13-21)12-19(24)22-8-9-23(20(25)14-22)17-6-4-16(3)5-7-17/h4-7,15,18H,8-14H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one?
1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 70744765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).