(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one

C18H35N3O2 — CID 95978670

IUPAC(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one
SMILESCC[C@H]1CCCCN1C(=O)[C@@H](C)NCC1CCN(CCO)CC1
InChIInChI=1S/C18H35N3O2/c1-3-17-6-4-5-9-21(17)18(23)15(2)19-14-16-7-10-20(11-8-16)12-13-22/h15-17,19,22H,3-14H2,1-2H3/t15-,17+/m1/s1
InChIKeyXWBXZWJXELLZHT-WBVHZDCISA-N
MW325.50 g/mol
LogP1.46
Rot. Bonds7

About (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one

(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one (PubChem CID 95978670) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one
PubChem CID95978670
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one
SMILESCC[C@H]1CCCCN1C(=O)[C@@H](C)NCC1CCN(CCO)CC1
InChIInChI=1S/C18H35N3O2/c1-3-17-6-4-5-9-21(17)18(23)15(2)19-14-16-7-10-20(11-8-16)12-13-22/h15-17,19,22H,3-14H2,1-2H3/t15-,17+/m1/s1
InChIKeyXWBXZWJXELLZHT-WBVHZDCISA-N
XLogP1.46
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one with MolForge

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Related Compounds

(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one
CID 95757642
1-(2-ethylpiperidin-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 111543736
(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one
CID 875586
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382
1-(2-ethylazepan-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107034891
1-(2-ethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119793413
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 78786224
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769
3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one
CID 104689693
1-(2-ethylpiperidin-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 103657075
2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119261722

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one?
The IUPAC name of (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one (CID 95978670) is (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one.
What is the SMILES notation for (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one?
The canonical SMILES for (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one is CC[C@H]1CCCCN1C(=O)[C@@H](C)NCC1CCN(CCO)CC1.
What is the InChIKey of (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one?
The InChIKey is XWBXZWJXELLZHT-WBVHZDCISA-N. The full InChI is InChI=1S/C18H35N3O2/c1-3-17-6-4-5-9-21(17)18(23)15(2)19-14-16-7-10-20(11-8-16)12-13-22/h15-17,19,22H,3-14H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one?
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one has a molecular weight of 325.50 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]propan-1-one is sourced from PubChem (CID 95978670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).