(4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

C14H26N4O — CID 79207709

IUPAC(4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C14H26N4O/c1-16(2)5-6-17-7-9-18(10-8-17)14(19)12-3-4-13(15)11-12/h3-4,12-13H,5-11,15H2,1-2H3
InChIKeyCWBYPCZPYRDLTQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.40
Rot. Bonds4

About (4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

(4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (PubChem CID 79207709) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
PubChem CID79207709
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name(4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C14H26N4O/c1-16(2)5-6-17-7-9-18(10-8-17)14(19)12-3-4-13(15)11-12/h3-4,12-13H,5-11,15H2,1-2H3
InChIKeyCWBYPCZPYRDLTQ-UHFFFAOYSA-N
XLogP-0.40
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone
CID 79211513
2-[4-(4-aminocyclopent-2-ene-1-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 79210332
(4-aminocyclopent-2-en-1-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 79207806
cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 113073602
4-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
CID 79210135
N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide
CID 79211284
(4-aminocyclopent-2-en-1-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696679
2-bromo-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 114328631
(4-aminocyclopent-2-en-1-yl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114669933
(4-aminocyclopent-2-en-1-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 79210804
(4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532882
(4-aminocyclopent-2-en-1-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 79191829

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (CID 79207709) is (4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is CN(C)CCN1CCN(C(=O)C2C=CC(N)C2)CC1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The InChIKey is CWBYPCZPYRDLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-16(2)5-6-17-7-9-18(10-8-17)14(19)12-3-4-13(15)11-12/h3-4,12-13H,5-11,15H2,1-2H3.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
(4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone has a molecular weight of 266.39 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 79207709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).