1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one

C15H26N2O2 — CID 174081600

IUPAC1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one
SMILESCC#CC(=O)CNCCOCCCN1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-2-7-15(18)14-16-8-13-19-12-6-11-17-9-4-3-5-10-17/h16H,3-6,8-14H2,1H3
InChIKeyQSQGWUDGEAWJPJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.06
Rot. Bonds9

About 1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one

1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one (PubChem CID 174081600) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one.

Molecular Properties

Compound Name1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one
PubChem CID174081600
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one
SMILESCC#CC(=O)CNCCOCCCN1CCCCC1
InChIInChI=1S/C15H26N2O2/c1-2-7-15(18)14-16-8-13-19-12-6-11-17-9-4-3-5-10-17/h16H,3-6,8-14H2,1H3
InChIKeyQSQGWUDGEAWJPJ-UHFFFAOYSA-N
XLogP1.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-piperidin-1-ylethoxy)propylamino]pent-3-yn-2-one
CID 174081604
1-(7-piperidin-1-ylheptoxy)pent-3-yn-2-one
CID 174081540
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597
3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 174081579
4-(3-pyrrolidin-1-ylpropoxy)butanamide
CID 166535880
N-methyl-3-(2-piperidin-1-ylethoxy)propan-1-amine
CID 62459312
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
2-[5-(2-piperidin-1-ylethoxy)pentoxy]acetamide
CID 142368425
7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol
CID 174081416
ethane;N-methyl-5-[3-(2-piperidin-1-ylethoxy)propoxy]pentanamide
CID 142391107

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one?
The IUPAC name of 1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one (CID 174081600) is 1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one.
What is the SMILES notation for 1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one?
The canonical SMILES for 1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one is CC#CC(=O)CNCCOCCCN1CCCCC1.
What is the InChIKey of 1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one?
The InChIKey is QSQGWUDGEAWJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-7-15(18)14-16-8-13-19-12-6-11-17-9-4-3-5-10-17/h16H,3-6,8-14H2,1H3.
What are the key properties of 1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one?
1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one has a molecular weight of 266.38 g/mol, XLogP of 1.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-piperidin-1-ylpropoxy)ethylamino]pent-3-yn-2-one is sourced from PubChem (CID 174081600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).