2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone

C20H31N3O — CID 72861855

IUPAC2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)N1CCC(CC(=O)N2CCCCC2c2ccccn2)CC1
InChIInChI=1S/C20H31N3O/c1-16(2)22-13-9-17(10-14-22)15-20(24)23-12-6-4-8-19(23)18-7-3-5-11-21-18/h3,5,7,11,16-17,19H,4,6,8-10,12-15H2,1-2H3
InChIKeyHHDOXUBVRJCTDF-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.65
Rot. Bonds4

About 2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone

2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone (PubChem CID 72861855) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
PubChem CID72861855
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)N1CCC(CC(=O)N2CCCCC2c2ccccn2)CC1
InChIInChI=1S/C20H31N3O/c1-16(2)22-13-9-17(10-14-22)15-20(24)23-12-6-4-8-19(23)18-7-3-5-11-21-18/h3,5,7,11,16-17,19H,4,6,8-10,12-15H2,1-2H3
InChIKeyHHDOXUBVRJCTDF-UHFFFAOYSA-N
XLogP3.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propan-2-ylpiperidin-4-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97200306
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 77091255
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457
1-(2-pyridin-2-ylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 90649217
2-(1H-imidazol-5-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethanone
CID 99988134
1-[2-oxo-2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]piperidine-4-carboxamide
CID 97120709
(4R)-5,5-dimethyl-4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]oxolan-2-one
CID 100819553
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72884084
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 70782488
1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 99974769
3-[2-oxo-2-[(2R)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 95862581
3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 70723414

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone (CID 72861855) is 2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone is CC(C)N1CCC(CC(=O)N2CCCCC2c2ccccn2)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone?
The InChIKey is HHDOXUBVRJCTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16(2)22-13-9-17(10-14-22)15-20(24)23-12-6-4-8-19(23)18-7-3-5-11-21-18/h3,5,7,11,16-17,19H,4,6,8-10,12-15H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone?
2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone has a molecular weight of 329.49 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 72861855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).