1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one

C20H29N3O3 — CID 96573400

IUPAC1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CC[C@@H](C)N3CCOCC3)CC2=O)cc1
InChIInChI=1S/C20H29N3O3/c1-16-3-6-18(7-4-16)23-10-9-22(15-20(23)25)19(24)8-5-17(2)21-11-13-26-14-12-21/h3-4,6-7,17H,5,8-15H2,1-2H3/t17-/m1/s1
InChIKeyKAVARBKOPROIBB-QGZVFWFLSA-N
MW359.47 g/mol
LogP1.67
Rot. Bonds5

About 1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one

1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one (PubChem CID 96573400) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one
PubChem CID96573400
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CC[C@@H](C)N3CCOCC3)CC2=O)cc1
InChIInChI=1S/C20H29N3O3/c1-16-3-6-18(7-4-16)23-10-9-22(15-20(23)25)19(24)8-5-17(2)21-11-13-26-14-12-21/h3-4,6-7,17H,5,8-15H2,1-2H3/t17-/m1/s1
InChIKeyKAVARBKOPROIBB-QGZVFWFLSA-N
XLogP1.67
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one
CID 96579737
1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one
CID 96578207
1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one
CID 70744765
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70765820
1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one
CID 96578674
4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one
CID 96574232
4-[2-(azepan-1-yl)propanoyl]-1-(4-methylphenyl)piperazin-2-one
CID 70776563
4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 96580689
1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one
CID 70727058
4-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70748846
1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one
CID 91839686

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one (CID 96573400) is 1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one is Cc1ccc(N2CCN(C(=O)CC[C@@H](C)N3CCOCC3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one?
The InChIKey is KAVARBKOPROIBB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-16-3-6-18(7-4-16)23-10-9-22(15-20(23)25)19(24)8-5-17(2)21-11-13-26-14-12-21/h3-4,6-7,17H,5,8-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one?
1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one is sourced from PubChem (CID 96573400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).