(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C19H21N3O2 — CID 120729059

IUPAC(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESC=CCOc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-12-24-17-7-5-15(6-8-17)19(23)22-11-10-21-14-18(22)16-4-3-9-20-13-16/h2-9,13,18,21H,1,10-12,14H2
InChIKeyVDIZEFAALZUAKU-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.43
Rot. Bonds5

About (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120729059) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120729059
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESC=CCOc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-12-24-17-7-5-15(6-8-17)19(23)22-11-10-21-14-18(22)16-4-3-9-20-13-16/h2-9,13,18,21H,1,10-12,14H2
InChIKeyVDIZEFAALZUAKU-UHFFFAOYSA-N
XLogP2.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.43
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

(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729058
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 120729201
[4-(3-methoxypropoxy)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730857
[4-[2-(diethylamino)ethoxy]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730306
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(3,4-dimethoxy-5-prop-2-enylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729626
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
[4-(1,3-dithian-2-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729661
(2-pyridin-3-ylpiperazin-1-yl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 120731821
(2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119472958
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839

Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120729059) is (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is C=CCOc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1.
What is the InChIKey of (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is VDIZEFAALZUAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-12-24-17-7-5-15(6-8-17)19(23)22-11-10-21-14-18(22)16-4-3-9-20-13-16/h2-9,13,18,21H,1,10-12,14H2.
What are the key properties of (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 323.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120729059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).