[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone

C21H29N5O3 — CID 136583909

IUPAC[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone
SMILESCCOc1cccc(N2CCN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)CC2)n1
InChIInChI=1S/C21H29N5O3/c1-3-28-18-8-4-7-17(23-18)25-11-13-26(14-12-25)21(27)16-6-5-15-29-19(16)20-22-9-10-24(20)2/h4,7-10,16,19H,3,5-6,11-15H2,1-2H3/t16-,19-/m1/s1
InChIKeyWQNJWPXDRUTCMY-VQIMIIECSA-N
MW399.50 g/mol
LogP2.03
Rot. Bonds5

About [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone

[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone (PubChem CID 136583909) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone.

Molecular Properties

Compound Name[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone
PubChem CID136583909
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone
SMILESCCOc1cccc(N2CCN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)CC2)n1
InChIInChI=1S/C21H29N5O3/c1-3-28-18-8-4-7-17(23-18)25-11-13-26(14-12-25)21(27)16-6-5-15-29-19(16)20-22-9-10-24(20)2/h4,7-10,16,19H,3,5-6,11-15H2,1-2H3/t16-,19-/m1/s1
InChIKeyWQNJWPXDRUTCMY-VQIMIIECSA-N
XLogP2.03
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-2-(1-methylimidazol-2-yl)oxane-3-carboxylic acid;hydrochloride
CID 155858673
[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 128975674
6-ethoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine
CID 128972109
[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 129479414
(2R,3R)-N-(6-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 167843656
[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone
CID 128995894
1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845323
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
CID 154738087
[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 129479295
2-chloro-1-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 146085937
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone
CID 154740610
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720

Frequently Asked Questions

What is the IUPAC name of [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone?
The IUPAC name of [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone (CID 136583909) is [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone.
What is the SMILES notation for [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone?
The canonical SMILES for [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone is CCOc1cccc(N2CCN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)CC2)n1.
What is the InChIKey of [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone?
The InChIKey is WQNJWPXDRUTCMY-VQIMIIECSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-3-28-18-8-4-7-17(23-18)25-11-13-26(14-12-25)21(27)16-6-5-15-29-19(16)20-22-9-10-24(20)2/h4,7-10,16,19H,3,5-6,11-15H2,1-2H3/t16-,19-/m1/s1.
What are the key properties of [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone?
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone has a molecular weight of 399.50 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone is sourced from PubChem (CID 136583909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).