[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

C15H23N3O2 — CID 70720563

IUPAC[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCCC1(CO)CCCN(C(=O)c2ccnc(NC)c2)C1
InChIInChI=1S/C15H23N3O2/c1-3-15(11-19)6-4-8-18(10-15)14(20)12-5-7-17-13(9-12)16-2/h5,7,9,19H,3-4,6,8,10-11H2,1-2H3,(H,16,17)
InChIKeyMIDPKRIKRHWGLB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.75
Rot. Bonds4

About [3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (PubChem CID 70720563) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
PubChem CID70720563
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCCC1(CO)CCCN(C(=O)c2ccnc(NC)c2)C1
InChIInChI=1S/C15H23N3O2/c1-3-15(11-19)6-4-8-18(10-15)14(20)12-5-7-17-13(9-12)16-2/h5,7,9,19H,3-4,6,8,10-11H2,1-2H3,(H,16,17)
InChIKeyMIDPKRIKRHWGLB-UHFFFAOYSA-N
XLogP1.75
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 97139764
3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone
CID 62930860
[2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63614802
[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
CID 70773679
[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 97149586
[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 97128497
[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 25373647
[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
CID 72932601
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 91783364
[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-4-methylphenyl)methanone
CID 97142502
(5-cyclopropyl-1,3-oxazol-4-yl)-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 72859720

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of [3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (CID 70720563) is [3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for [3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is CCC1(CO)CCCN(C(=O)c2ccnc(NC)c2)C1.
What is the InChIKey of [3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is MIDPKRIKRHWGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-15(11-19)6-4-8-18(10-15)14(20)12-5-7-17-13(9-12)16-2/h5,7,9,19H,3-4,6,8,10-11H2,1-2H3,(H,16,17).
What are the key properties of [3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 277.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 70720563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).