1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one

C21H32N4O2 — CID 96579737

IUPAC1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CC[C@H](C)N3CCN(C)CC3)CC2=O)cc1
InChIInChI=1S/C21H32N4O2/c1-17-4-7-19(8-5-17)25-15-14-24(16-21(25)27)20(26)9-6-18(2)23-12-10-22(3)11-13-23/h4-5,7-8,18H,6,9-16H2,1-3H3/t18-/m0/s1
InChIKeyHPANFUZSPPILGR-SFHVURJKSA-N
MW372.51 g/mol
LogP1.59
Rot. Bonds5

About 1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one

1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one (PubChem CID 96579737) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one
PubChem CID96579737
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CC[C@H](C)N3CCN(C)CC3)CC2=O)cc1
InChIInChI=1S/C21H32N4O2/c1-17-4-7-19(8-5-17)25-15-14-24(16-21(25)27)20(26)9-6-18(2)23-12-10-22(3)11-13-23/h4-5,7-8,18H,6,9-16H2,1-3H3/t18-/m0/s1
InChIKeyHPANFUZSPPILGR-SFHVURJKSA-N
XLogP1.59
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.59
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-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one
CID 96578207
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-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one
CID 70744765
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
4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 70780139

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one (CID 96579737) is 1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one is Cc1ccc(N2CCN(C(=O)CC[C@H](C)N3CCN(C)CC3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one?
The InChIKey is HPANFUZSPPILGR-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-17-4-7-19(8-5-17)25-15-14-24(16-21(25)27)20(26)9-6-18(2)23-12-10-22(3)11-13-23/h4-5,7-8,18H,6,9-16H2,1-3H3/t18-/m0/s1.
What are the key properties of 1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one?
1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one has a molecular weight of 372.51 g/mol, XLogP of 1.59, 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-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one is sourced from PubChem (CID 96579737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).