[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone

C14H21N3O2 — CID 114506541

IUPAC[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2ccncc2O)CCC1NC
InChIInChI=1S/C14H21N3O2/c1-3-10-9-17(7-5-12(10)15-2)14(19)11-4-6-16-8-13(11)18/h4,6,8,10,12,15,18H,3,5,7,9H2,1-2H3
InChIKeyKCBRGAQLZDNNNS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.25
Rot. Bonds3

About [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone

[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (PubChem CID 114506541) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
PubChem CID114506541
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2ccncc2O)CCC1NC
InChIInChI=1S/C14H21N3O2/c1-3-10-9-17(7-5-12(10)15-2)14(19)11-4-6-16-8-13(11)18/h4,6,8,10,12,15,18H,3,5,7,9H2,1-2H3
InChIKeyKCBRGAQLZDNNNS-UHFFFAOYSA-N
XLogP1.25
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone with MolForge

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Related Compounds

(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 81458088
(4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506286
(3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 80718021
[3-ethyl-4-(methylamino)piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114506404
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611
(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 80706943
(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 81442707
[3-ethyl-4-(methylamino)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103115705
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114802012
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-hydroxy-4-pyridinyl)methanone
CID 81442594
(2-ethoxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506351
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The IUPAC name of [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (CID 114506541) is [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.
What is the SMILES notation for [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The canonical SMILES for [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is CCC1CN(C(=O)c2ccncc2O)CCC1NC.
What is the InChIKey of [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The InChIKey is KCBRGAQLZDNNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-10-9-17(7-5-12(10)15-2)14(19)11-4-6-16-8-13(11)18/h4,6,8,10,12,15,18H,3,5,7,9H2,1-2H3.
What are the key properties of [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is sourced from PubChem (CID 114506541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).