2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C20H31N3O2 — CID 139001577

IUPAC2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN(C3CCCC3O)CC2)c(C)c1
InChIInChI=1S/C20H31N3O2/c1-14-11-15(2)20(16(3)12-14)21-19(25)13-22-7-9-23(10-8-22)17-5-4-6-18(17)24/h11-12,17-18,24H,4-10,13H2,1-3H3,(H,21,25)
InChIKeyLTDQCVDBWJPZSV-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.08
Rot. Bonds4

About 2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 139001577) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID139001577
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN(C3CCCC3O)CC2)c(C)c1
InChIInChI=1S/C20H31N3O2/c1-14-11-15(2)20(16(3)12-14)21-19(25)13-22-7-9-23(10-8-22)17-5-4-6-18(17)24/h11-12,17-18,24H,4-10,13H2,1-3H3,(H,21,25)
InChIKeyLTDQCVDBWJPZSV-UHFFFAOYSA-N
XLogP2.08
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2681954
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 119922259
2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3090863
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 102977555
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperazine-1-carboxylate;hydrochloride
CID 3066137
1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904700
2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3220766
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8930661
2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 20980021
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2653141
2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 166602045
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 16909868

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 139001577) is 2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2CCN(C3CCCC3O)CC2)c(C)c1.
What is the InChIKey of 2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is LTDQCVDBWJPZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14-11-15(2)20(16(3)12-14)21-19(25)13-22-7-9-23(10-8-22)17-5-4-6-18(17)24/h11-12,17-18,24H,4-10,13H2,1-3H3,(H,21,25).
What are the key properties of 2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 139001577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).