4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione

C16H21N3O2 — CID 117463789

IUPAC4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione
SMILESCN1C(=O)CN(c2cccc(C3(N)CCCC3)c2)CC1=O
InChIInChI=1S/C16H21N3O2/c1-18-14(20)10-19(11-15(18)21)13-6-4-5-12(9-13)16(17)7-2-3-8-16/h4-6,9H,2-3,7-8,10-11,17H2,1H3
InChIKeyNSVGWXPZRIEBEM-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.22
Rot. Bonds2

About 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione

4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione (PubChem CID 117463789) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione
PubChem CID117463789
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione
SMILESCN1C(=O)CN(c2cccc(C3(N)CCCC3)c2)CC1=O
InChIInChI=1S/C16H21N3O2/c1-18-14(20)10-19(11-15(18)21)13-6-4-5-12(9-13)16(17)7-2-3-8-16/h4-6,9H,2-3,7-8,10-11,17H2,1H3
InChIKeyNSVGWXPZRIEBEM-UHFFFAOYSA-N
XLogP1.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278179
1-(m-Trifluorophenyl)piperazine, 13
CID 42618274
2-[4-(2-fluorophenyl)piperidin-1-yl]-N-(m-tolyl)acetamide
CID 10359019
2-(4-benzyl-1-piperazinyl)-N-phenylacetamide
CID 934745
N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 3107635
N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 3157325
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-tert-butyl-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 648838
2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2697446
N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide
CID 3048549
N-(3,4-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 856321
N-(3-methylphenyl)-3-(4-methyl-1-piperidinyl)propanamide
CID 1149647

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione?
The IUPAC name of 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione (CID 117463789) is 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione is CN1C(=O)CN(c2cccc(C3(N)CCCC3)c2)CC1=O.
What is the InChIKey of 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione?
The InChIKey is NSVGWXPZRIEBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-14(20)10-19(11-15(18)21)13-6-4-5-12(9-13)16(17)7-2-3-8-16/h4-6,9H,2-3,7-8,10-11,17H2,1H3.
What are the key properties of 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione?
4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione has a molecular weight of 287.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione is sourced from PubChem (CID 117463789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).