[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone

C16H25N3O2 — CID 84570849

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCC(C)Nc1ccc(C(=O)N2CCCCC2CCO)cn1
InChIInChI=1S/C16H25N3O2/c1-12(2)18-15-7-6-13(11-17-15)16(21)19-9-4-3-5-14(19)8-10-20/h6-7,11-12,14,20H,3-5,8-10H2,1-2H3,(H,17,18)
InChIKeyZCLJCKZNTXORLV-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.28
Rot. Bonds5

About [2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone (PubChem CID 84570849) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone
PubChem CID84570849
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCC(C)Nc1ccc(C(=O)N2CCCCC2CCO)cn1
InChIInChI=1S/C16H25N3O2/c1-12(2)18-15-7-6-13(11-17-15)16(21)19-9-4-3-5-14(19)8-10-20/h6-7,11-12,14,20H,3-5,8-10H2,1-2H3,(H,17,18)
InChIKeyZCLJCKZNTXORLV-UHFFFAOYSA-N
XLogP2.28
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

[6-(ethylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62165751
[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109151990
[6-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061594
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 62173422
6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 43427369
(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 104691838
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 62166096
[6-(2-hydroxyethylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 95208526
[6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 95201446
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 62468426

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone (CID 84570849) is [2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone is CC(C)Nc1ccc(C(=O)N2CCCCC2CCO)cn1.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone?
The InChIKey is ZCLJCKZNTXORLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)18-15-7-6-13(11-17-15)16(21)19-9-4-3-5-14(19)8-10-20/h6-7,11-12,14,20H,3-5,8-10H2,1-2H3,(H,17,18).
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone has a molecular weight of 291.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 84570849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).