[2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C16H23N3O2 — CID 84574317

IUPAC[2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1NC1CC1)N1CCCCC1CCO
InChIInChI=1S/C16H23N3O2/c20-11-8-13-4-1-2-10-19(13)16(21)14-5-3-9-17-15(14)18-12-6-7-12/h3,5,9,12-13,20H,1-2,4,6-8,10-11H2,(H,17,18)
InChIKeyBOHLOQMKHLIHPS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.03
Rot. Bonds5

About [2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

[2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 84574317) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID84574317
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccnc1NC1CC1)N1CCCCC1CCO
InChIInChI=1S/C16H23N3O2/c20-11-8-13-4-1-2-10-19(13)16(21)14-5-3-9-17-15(14)18-12-6-7-12/h3,5,9,12-13,20H,1-2,4,6-8,10-11H2,(H,17,18)
InChIKeyBOHLOQMKHLIHPS-UHFFFAOYSA-N
XLogP2.03
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 84576187
3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 126445582
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
(2,6-dichloro-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 106993205
2,3-dihydro-1,4-benzodioxin-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 60955013
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
[2-(bromomethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 80658457
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 62166096
(5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62243989
(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107722292
(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172000
N-carbamoyl-2-[2-[(2R)-2-(2-hydroxyethyl)piperidine-1-carbonyl]anilino]acetamide
CID 95636491

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 84574317) is [2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1cccnc1NC1CC1)N1CCCCC1CCO.
What is the InChIKey of [2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is BOHLOQMKHLIHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-11-8-13-4-1-2-10-19(13)16(21)14-5-3-9-17-15(14)18-12-6-7-12/h3,5,9,12-13,20H,1-2,4,6-8,10-11H2,(H,17,18).
What are the key properties of [2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
[2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 84574317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).