1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one

C16H27N3O — CID 154149247

IUPAC1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one
SMILESCCC(=O)N1C=CC=CC1NC(C)(C)N1CCCCC1
InChIInChI=1S/C16H27N3O/c1-4-15(20)19-13-9-6-10-14(19)17-16(2,3)18-11-7-5-8-12-18/h6,9-10,13-14,17H,4-5,7-8,11-12H2,1-3H3
InChIKeyPXUBUGBOLGOCIW-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.45
Rot. Bonds4

About 1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one

1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one (PubChem CID 154149247) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one
PubChem CID154149247
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one
SMILESCCC(=O)N1C=CC=CC1NC(C)(C)N1CCCCC1
InChIInChI=1S/C16H27N3O/c1-4-15(20)19-13-9-6-10-14(19)17-16(2,3)18-11-7-5-8-12-18/h6,9-10,13-14,17H,4-5,7-8,11-12H2,1-3H3
InChIKeyPXUBUGBOLGOCIW-UHFFFAOYSA-N
XLogP2.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one?
The IUPAC name of 1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one (CID 154149247) is 1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one is CCC(=O)N1C=CC=CC1NC(C)(C)N1CCCCC1.
What is the InChIKey of 1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one?
The InChIKey is PXUBUGBOLGOCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-15(20)19-13-9-6-10-14(19)17-16(2,3)18-11-7-5-8-12-18/h6,9-10,13-14,17H,4-5,7-8,11-12H2,1-3H3.
What are the key properties of 1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one?
1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one has a molecular weight of 277.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one is sourced from PubChem (CID 154149247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).