3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one

C16H23N3O — CID 82754849

IUPAC3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one
SMILESCCc1cccnc1CN1CCCC(NC2CC2)C1=O
InChIInChI=1S/C16H23N3O/c1-2-12-5-3-9-17-15(12)11-19-10-4-6-14(16(19)20)18-13-7-8-13/h3,5,9,13-14,18H,2,4,6-8,10-11H2,1H3
InChIKeyFWBZZJDOPPQPGO-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.89
Rot. Bonds5

About 3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one

3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one (PubChem CID 82754849) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one
PubChem CID82754849
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one
SMILESCCc1cccnc1CN1CCCC(NC2CC2)C1=O
InChIInChI=1S/C16H23N3O/c1-2-12-5-3-9-17-15(12)11-19-10-4-6-14(16(19)20)18-13-7-8-13/h3,5,9,13-14,18H,2,4,6-8,10-11H2,1H3
InChIKeyFWBZZJDOPPQPGO-UHFFFAOYSA-N
XLogP1.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one (CID 82754849) is 3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one is CCc1cccnc1CN1CCCC(NC2CC2)C1=O.
What is the InChIKey of 3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one?
The InChIKey is FWBZZJDOPPQPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-12-5-3-9-17-15(12)11-19-10-4-6-14(16(19)20)18-13-7-8-13/h3,5,9,13-14,18H,2,4,6-8,10-11H2,1H3.
What are the key properties of 3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one?
3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one is sourced from PubChem (CID 82754849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).