(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one

C17H27N3O — CID 95274911

IUPAC(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one
SMILESCC[C@H]1CCCCN1C(=O)[C@@H](C)NCCc1ccccn1
InChIInChI=1S/C17H27N3O/c1-3-16-9-5-7-13-20(16)17(21)14(2)18-12-10-15-8-4-6-11-19-15/h4,6,8,11,14,16,18H,3,5,7,9-10,12-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyLQWYLWSBNROZHP-ZBFHGGJFSA-N
MW289.42 g/mol
LogP2.39
Rot. Bonds6

About (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one

(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one (PubChem CID 95274911) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one
PubChem CID95274911
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one
SMILESCC[C@H]1CCCCN1C(=O)[C@@H](C)NCCc1ccccn1
InChIInChI=1S/C17H27N3O/c1-3-16-9-5-7-13-20(16)17(21)14(2)18-12-10-15-8-4-6-11-19-15/h4,6,8,11,14,16,18H,3,5,7,9-10,12-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyLQWYLWSBNROZHP-ZBFHGGJFSA-N
XLogP2.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083640
4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109047547
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 51916299
(1R)-1-cyclohexyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 15206944
1-cyclohexyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 15206943
1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 116636366
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 112778414
N-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47143464
1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111567749
N-phenyl-2-(2-pyridin-2-ylethylamino)propanamide
CID 43083637

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one?
The IUPAC name of (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one (CID 95274911) is (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one.
What is the SMILES notation for (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one?
The canonical SMILES for (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one is CC[C@H]1CCCCN1C(=O)[C@@H](C)NCCc1ccccn1.
What is the InChIKey of (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one?
The InChIKey is LQWYLWSBNROZHP-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-16-9-5-7-13-20(16)17(21)14(2)18-12-10-15-8-4-6-11-19-15/h4,6,8,11,14,16,18H,3,5,7,9-10,12-13H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one?
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one has a molecular weight of 289.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one is sourced from PubChem (CID 95274911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).