(2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone

C17H27N3O2 — CID 98791674

IUPAC(2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCC[C@H]1CN(C(=O)c2ccc(C)nc2C)CCN1C[C@H](C)O
InChIInChI=1S/C17H27N3O2/c1-5-15-11-20(9-8-19(15)10-13(3)21)17(22)16-7-6-12(2)18-14(16)4/h6-7,13,15,21H,5,8-11H2,1-4H3/t13-,15-/m0/s1
InChIKeyLGFUSQDACDONBB-ZFWWWQNUSA-N
MW305.42 g/mol
LogP1.62
Rot. Bonds4

About (2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone

(2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone (PubChem CID 98791674) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
PubChem CID98791674
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCC[C@H]1CN(C(=O)c2ccc(C)nc2C)CCN1C[C@H](C)O
InChIInChI=1S/C17H27N3O2/c1-5-15-11-20(9-8-19(15)10-13(3)21)17(22)16-7-6-12(2)18-14(16)4/h6-7,13,15,21H,5,8-11H2,1-4H3/t13-,15-/m0/s1
InChIKeyLGFUSQDACDONBB-ZFWWWQNUSA-N
XLogP1.62
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone
CID 75422855
[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone
CID 98848089
[4-(1-bromoethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone
CID 106839172
(3-bromopyrrolidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80677896
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-2-phenylethanone;dihydrochloride
CID 119880157
(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61060522
(2,6-dimethyl-3-pyridinyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466183
(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 61060891
(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]-N-(4-phenylphenyl)piperazine-1-carboxamide
CID 98848186
(2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 97142002
(4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 114683136

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone (CID 98791674) is (2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone is CC[C@H]1CN(C(=O)c2ccc(C)nc2C)CCN1C[C@H](C)O.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The InChIKey is LGFUSQDACDONBB-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-15-11-20(9-8-19(15)10-13(3)21)17(22)16-7-6-12(2)18-14(16)4/h6-7,13,15,21H,5,8-11H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
(2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone has a molecular weight of 305.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 98791674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).