(8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C21H23N3O3 — CID 120731048

IUPAC(8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCCOc1cccc2c1OCC(C(=O)N1CCNCC1c1cccnc1)=C2
InChIInChI=1S/C21H23N3O3/c1-2-26-19-7-3-5-15-11-17(14-27-20(15)19)21(25)24-10-9-23-13-18(24)16-6-4-8-22-12-16/h3-8,11-12,18,23H,2,9-10,13-14H2,1H3
InChIKeyAHJMSTPVDFHIAN-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.43
Rot. Bonds4

About (8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120731048) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120731048
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCCOc1cccc2c1OCC(C(=O)N1CCNCC1c1cccnc1)=C2
InChIInChI=1S/C21H23N3O3/c1-2-26-19-7-3-5-15-11-17(14-27-20(15)19)21(25)24-10-9-23-13-18(24)16-6-4-8-22-12-16/h3-8,11-12,18,23H,2,9-10,13-14H2,1H3
InChIKeyAHJMSTPVDFHIAN-UHFFFAOYSA-N
XLogP2.43
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732198
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120731728
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
CID 120731122
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
1-(4-propylphenyl)-4-(2-pyridin-3-ylpiperazin-1-yl)butane-1,4-dione
CID 120732195
[4-[2-(diethylamino)ethoxy]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730306
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 120729201
4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride
CID 120730453

Frequently Asked Questions

What is the IUPAC name of (8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120731048) is (8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is CCOc1cccc2c1OCC(C(=O)N1CCNCC1c1cccnc1)=C2.
What is the InChIKey of (8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is AHJMSTPVDFHIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-26-19-7-3-5-15-11-17(14-27-20(15)19)21(25)24-10-9-23-13-18(24)16-6-4-8-22-12-16/h3-8,11-12,18,23H,2,9-10,13-14H2,1H3.
What are the key properties of (8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 365.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethoxy-2H-chromen-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120731048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).