[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone

C16H25N3O3 — CID 56803198

IUPAC[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCCOCC(O)CN1CCN(C(=O)c2ccc(C)nc2)CC1
InChIInChI=1S/C16H25N3O3/c1-3-22-12-15(20)11-18-6-8-19(9-7-18)16(21)14-5-4-13(2)17-10-14/h4-5,10,15,20H,3,6-9,11-12H2,1-2H3
InChIKeyMRFVAFYLIGFAEF-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.55
Rot. Bonds6

About [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone

[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 56803198) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID56803198
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCCOCC(O)CN1CCN(C(=O)c2ccc(C)nc2)CC1
InChIInChI=1S/C16H25N3O3/c1-3-22-12-15(20)11-18-6-8-19(9-7-18)16(21)14-5-4-13(2)17-10-14/h4-5,10,15,20H,3,6-9,11-12H2,1-2H3
InChIKeyMRFVAFYLIGFAEF-UHFFFAOYSA-N
XLogP0.55
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone with MolForge

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Related Compounds

Nicopholine
CID 68116
(4-Isopropyl-piperazin-1-yl)-(6-piperidin-1-ylmethyl-pyridin-3-yl)-methanone
CID 11522780
VU0361747
CID 53384841
4,4'-(2,5-Pyridinediyldicarbonyl)dimorpholine
CID 896860
(4-Isopropyl-piperazin-1-yl)-(6-morpholin-4-ylmethylpyridin-3-yl)-methanone
CID 11588013
6-({bis[(pyridin-2-yl)methyl]amino}methyl)-N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pyridine-3-carboxamide
CID 134274808
6-Chloro-7-{4-[2-(2-hydroxy-ethoxy)-ethyl]-piperazin-1-yl}-quinoline-5,8-dione
CID 378911
6-methyl-N-[2-(1-piperidinyl)ethyl]nicotinamide
CID 1237027
Morpholino(6-(2-phenylethynyl)pyridin-3-yl)methanone
CID 45270430
6-(Hydroxyimino-methyl)-N-(2-piperidin-1-yl-ethyl)-nicotinamide
CID 135495453
(3,5-Dimethylmorpholin-4-yl)-(3-pyridyl)methanone
CID 306096
(4-Methylpiperazin-1-yl)(6-(2-phenylethynyl)pyridin-3-yl)methanone
CID 45269593

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 56803198) is [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone is CCOCC(O)CN1CCN(C(=O)c2ccc(C)nc2)CC1.
What is the InChIKey of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is MRFVAFYLIGFAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-22-12-15(20)11-18-6-8-19(9-7-18)16(21)14-5-4-13(2)17-10-14/h4-5,10,15,20H,3,6-9,11-12H2,1-2H3.
What are the key properties of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 307.39 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 56803198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).