[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone

C19H21N3O3 — CID 2539161

IUPAC[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESCCOc1ncccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21N3O3/c1-2-25-17-16(9-6-10-20-17)19(24)22-13-11-21(12-14-22)18(23)15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3
InChIKeyCLDWKCPIBUCFLU-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.08
Rot. Bonds4

About [4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone

[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone (PubChem CID 2539161) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is [4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone
PubChem CID2539161
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESCCOc1ncccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21N3O3/c1-2-25-17-16(9-6-10-20-17)19(24)22-13-11-21(12-14-22)18(23)15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3
InChIKeyCLDWKCPIBUCFLU-UHFFFAOYSA-N
XLogP2.08
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(Trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 11837154
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-phenoxypyridin-3-yl)methanone
CID 24771416
US9546152, example 19
CID 74222402
2-(4-Methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 717251
N-benzyl-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487805
2-ethoxy-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 1478065
2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 2080643
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
[2-(Benzylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2346507
N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 2481263
2-ethoxy-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide
CID 2517314
N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide
CID 2574091

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone (CID 2539161) is [4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone is CCOc1ncccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is CLDWKCPIBUCFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-25-17-16(9-6-10-20-17)19(24)22-13-11-21(12-14-22)18(23)15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3.
What are the key properties of [4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone?
[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 339.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 2539161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).