1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one

C19H30N4O — CID 96567368

IUPAC1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one
SMILESCN(CCN1CCCC1=O)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C19H30N4O/c1-21(15-16-23-11-4-6-19(23)24)18-8-13-22(14-9-18)12-7-17-5-2-3-10-20-17/h2-3,5,10,18H,4,6-9,11-16H2,1H3
InChIKeyQBJAEWCAFVMVPX-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.64
Rot. Bonds7

About 1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one

1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one (PubChem CID 96567368) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one
PubChem CID96567368
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one
SMILESCN(CCN1CCCC1=O)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C19H30N4O/c1-21(15-16-23-11-4-6-19(23)24)18-8-13-22(14-9-18)12-7-17-5-2-3-10-20-17/h2-3,5,10,18H,4,6-9,11-16H2,1H3
InChIKeyQBJAEWCAFVMVPX-UHFFFAOYSA-N
XLogP1.64
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one (CID 96567368) is 1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one is CN(CCN1CCCC1=O)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of 1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one?
The InChIKey is QBJAEWCAFVMVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-21(15-16-23-11-4-6-19(23)24)18-8-13-22(14-9-18)12-7-17-5-2-3-10-20-17/h2-3,5,10,18H,4,6-9,11-16H2,1H3.
What are the key properties of 1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one?
1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one has a molecular weight of 330.48 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 96567368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).