5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one

C17H29N3O — CID 60942690

IUPAC5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC(C)C2CCCN(CC)C2)ccc1=O
InChIInChI=1S/C17H29N3O/c1-4-10-20-13-16(8-9-17(20)21)18-14(3)15-7-6-11-19(5-2)12-15/h8-9,13-15,18H,4-7,10-12H2,1-3H3
InChIKeyXAZYVTBZFIMHQC-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.79
Rot. Bonds6

About 5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one

5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one (PubChem CID 60942690) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one
PubChem CID60942690
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC(C)C2CCCN(CC)C2)ccc1=O
InChIInChI=1S/C17H29N3O/c1-4-10-20-13-16(8-9-17(20)21)18-14(3)15-7-6-11-19(5-2)12-15/h8-9,13-15,18H,4-7,10-12H2,1-3H3
InChIKeyXAZYVTBZFIMHQC-UHFFFAOYSA-N
XLogP2.79
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(piperidin-4-ylmethyl)pyridin-2(1H)-one
CID 44410571
1-(piperidin-3-ylmethyl)pyridin-2(1H)-one
CID 44410533
N-(4-methylcyclohexyl)-2-oxo-1-propylpyridine-3-carboxamide
CID 76314156
1-butyl-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
CID 76332282
1-Methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one
CID 171346454
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 71849994
N-(1-methylpiperidin-4-yl)-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
CID 177665074
1-(2-methylpropyl)-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide
CID 177665727
1-(Piperidin-4-yl)pyridin-2(1h)-one
CID 68690104
1-Ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one
CID 60944170
1-Ethyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one
CID 64755077
1-Propyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridin-2-one
CID 64755078

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one?
The IUPAC name of 5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one (CID 60942690) is 5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one is CCCn1cc(NC(C)C2CCCN(CC)C2)ccc1=O.
What is the InChIKey of 5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one?
The InChIKey is XAZYVTBZFIMHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-10-20-13-16(8-9-17(20)21)18-14(3)15-7-6-11-19(5-2)12-15/h8-9,13-15,18H,4-7,10-12H2,1-3H3.
What are the key properties of 5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one?
5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one has a molecular weight of 291.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one is sourced from PubChem (CID 60942690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).