(2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

C18H26N2O2 — CID 95759044

IUPAC(2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-13-6-7-14(2)15(12-13)18(22)20-10-8-19(9-11-20)16-4-3-5-17(16)21/h6-7,12,16-17,21H,3-5,8-11H2,1-2H3/t16-,17+/m1/s1
InChIKeySZZQVIIYMBVWPI-SJORKVTESA-N
MW302.42 g/mol
LogP1.97
Rot. Bonds2

About (2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

(2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (PubChem CID 95759044) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
PubChem CID95759044
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-13-6-7-14(2)15(12-13)18(22)20-10-8-19(9-11-20)16-4-3-5-17(16)21/h6-7,12,16-17,21H,3-5,8-11H2,1-2H3/t16-,17+/m1/s1
InChIKeySZZQVIIYMBVWPI-SJORKVTESA-N
XLogP1.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 97069676
1-(2,5-dimethylbenzoyl)piperidine-4-carbonitrile
CID 49064705
(2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122985
methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate
CID 43404824
[4-(2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808553
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 95758944
(2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276502
1-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803941
1,4-diazepan-1-yl-(2,5-dimethylphenyl)methanone
CID 18071803
(2S)-1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(4-methylphenyl)propan-1-one
CID 97005626

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (CID 95759044) is (2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is Cc1ccc(C)c(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The InChIKey is SZZQVIIYMBVWPI-SJORKVTESA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-6-7-14(2)15(12-13)18(22)20-10-8-19(9-11-20)16-4-3-5-17(16)21/h6-7,12,16-17,21H,3-5,8-11H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
(2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95759044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).