1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone

C20H28N2O3 — CID 111432626

IUPAC1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCN(C(=O)CC3(O)CCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-16-4-6-17(7-5-16)14-18(23)21-10-12-22(13-11-21)19(24)15-20(25)8-2-3-9-20/h4-7,25H,2-3,8-15H2,1H3
InChIKeyUDNWDILASBIMLB-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.90
Rot. Bonds4

About 1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone

1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 111432626) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID111432626
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCN(C(=O)CC3(O)CCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-16-4-6-17(7-5-16)14-18(23)21-10-12-22(13-11-21)19(24)15-20(25)8-2-3-9-20/h4-7,25H,2-3,8-15H2,1H3
InChIKeyUDNWDILASBIMLB-UHFFFAOYSA-N
XLogP1.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119314460
3-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 119767921
N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110365768
1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666254
1-[4-[2-(methylamino)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119767898
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 43416163
1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-(4-methylphenyl)ethanone
CID 81100506
2-(1-hydroxycyclopentyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 111430178
1-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)ethanone
CID 80665628
2-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pentan-1-one
CID 119314467
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365770
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120930299

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone (CID 111432626) is 1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCN(C(=O)CC3(O)CCCC3)CC2)cc1.
What is the InChIKey of 1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is UDNWDILASBIMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-16-4-6-17(7-5-16)14-18(23)21-10-12-22(13-11-21)19(24)15-20(25)8-2-3-9-20/h4-7,25H,2-3,8-15H2,1H3.
What are the key properties of 1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone?
1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 344.45 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 111432626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).