1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone

C17H31N3O — CID 131950880

IUPAC1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone
SMILESC=CCN1CCN(C(=O)CC2CCN(CCC)CC2)CC1
InChIInChI=1S/C17H31N3O/c1-3-7-18-9-5-16(6-10-18)15-17(21)20-13-11-19(8-4-2)12-14-20/h4,16H,2-3,5-15H2,1H3
InChIKeyOUKLXSQOGXBYPE-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.83
Rot. Bonds6

About 1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone

1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone (PubChem CID 131950880) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone
PubChem CID131950880
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone
SMILESC=CCN1CCN(C(=O)CC2CCN(CCC)CC2)CC1
InChIInChI=1S/C17H31N3O/c1-3-7-18-9-5-16(6-10-18)15-17(21)20-13-11-19(8-4-2)12-14-20/h4,16H,2-3,5-15H2,1H3
InChIKeyOUKLXSQOGXBYPE-UHFFFAOYSA-N
XLogP1.83
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one
CID 6466246
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728
1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 89072510
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
2-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 71967809
1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride
CID 120704431
cyclopropyl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6467866
ethane;methyl 2-(1-propylpiperidin-4-yl)acetate
CID 143432640
2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 91255593
carbamothioic S-acid;O-methyl carbamothioate;1-prop-2-enyl-4-propylpiperazine
CID 88690044
(1-prop-2-enylpiperidin-4-yl)methanol
CID 60768656
N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide
CID 51116338

Frequently Asked Questions

What is the IUPAC name of 1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone (CID 131950880) is 1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone is C=CCN1CCN(C(=O)CC2CCN(CCC)CC2)CC1.
What is the InChIKey of 1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone?
The InChIKey is OUKLXSQOGXBYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-3-7-18-9-5-16(6-10-18)15-17(21)20-13-11-19(8-4-2)12-14-20/h4,16H,2-3,5-15H2,1H3.
What are the key properties of 1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone?
1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone has a molecular weight of 293.45 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-2-enylpiperazin-1-yl)-2-(1-propylpiperidin-4-yl)ethanone is sourced from PubChem (CID 131950880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).