(4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone

C20H23N3O3 — CID 38786072

IUPAC(4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-2-15-26-17-8-6-16(7-9-17)19(24)22-11-13-23(14-12-22)20(25)18-5-3-4-10-21-18/h3-10H,2,11-15H2,1H3
InChIKeyOESYZKLBHXRWPH-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.47
Rot. Bonds5

About (4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone

(4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 38786072) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
PubChem CID38786072
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-2-15-26-17-8-6-16(7-9-17)19(24)22-11-13-23(14-12-22)20(25)18-5-3-4-10-21-18/h3-10H,2,11-15H2,1H3
InChIKeyOESYZKLBHXRWPH-UHFFFAOYSA-N
XLogP2.47
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl [4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl] carbonate
CID 108533354
(4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 17013548
[(E)-[amino(pyridin-2-yl)methylidene]amino] 4-propoxybenzoate
CID 8778912
(4-propoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808477
[4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 139375717
(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814057
cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone
CID 110801609
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone
CID 17249054
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone
CID 17349258
[4-(benzenesulfonyl)piperazin-1-yl]-(4-butoxyphenyl)methanone
CID 9496030
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone
CID 8924542

Frequently Asked Questions

What is the IUPAC name of (4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone (CID 38786072) is (4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone is CCCOc1ccc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1.
What is the InChIKey of (4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is OESYZKLBHXRWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-15-26-17-8-6-16(7-9-17)19(24)22-11-13-23(14-12-22)20(25)18-5-3-4-10-21-18/h3-10H,2,11-15H2,1H3.
What are the key properties of (4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
(4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 353.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 38786072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).