1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one

C19H28N2O — CID 159722729

IUPAC1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one
SMILESC/C(=C\c1ccc(=O)n(C)c1)C1CC1CCC1CCNCC1
InChIInChI=1S/C19H28N2O/c1-14(11-16-4-6-19(22)21(2)13-16)18-12-17(18)5-3-15-7-9-20-10-8-15/h4,6,11,13,15,17-18,20H,3,5,7-10,12H2,1-2H3/b14-11+
InChIKeyNAFXABDUIJWGBK-SDNWHVSQSA-N
MW300.45 g/mol
LogP3.20
Rot. Bonds5

About 1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one

1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one (PubChem CID 159722729) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one
PubChem CID159722729
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one
SMILESC/C(=C\c1ccc(=O)n(C)c1)C1CC1CCC1CCNCC1
InChIInChI=1S/C19H28N2O/c1-14(11-16-4-6-19(22)21(2)13-16)18-12-17(18)5-3-15-7-9-20-10-8-15/h4,6,11,13,15,17-18,20H,3,5,7-10,12H2,1-2H3/b14-11+
InChIKeyNAFXABDUIJWGBK-SDNWHVSQSA-N
XLogP3.20
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one (CID 159722729) is 1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one is C/C(=C\c1ccc(=O)n(C)c1)C1CC1CCC1CCNCC1.
What is the InChIKey of 1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one?
The InChIKey is NAFXABDUIJWGBK-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14(11-16-4-6-19(22)21(2)13-16)18-12-17(18)5-3-15-7-9-20-10-8-15/h4,6,11,13,15,17-18,20H,3,5,7-10,12H2,1-2H3/b14-11+.
What are the key properties of 1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one?
1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one has a molecular weight of 300.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one is sourced from PubChem (CID 159722729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).