1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one

C16H25N3O — CID 82908092

IUPAC1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN(CC1CCNCC1)C1CC1
InChIInChI=1S/C16H25N3O/c20-16-3-1-2-10-18(16)11-12-19(15-4-5-15)13-14-6-8-17-9-7-14/h1-3,10,14-15,17H,4-9,11-13H2
InChIKeyXHIXWMUEVHBSBV-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.31
Rot. Bonds6

About 1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one

1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one (PubChem CID 82908092) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one
PubChem CID82908092
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN(CC1CCNCC1)C1CC1
InChIInChI=1S/C16H25N3O/c20-16-3-1-2-10-18(16)11-12-19(15-4-5-15)13-14-6-8-17-9-7-14/h1-3,10,14-15,17H,4-9,11-13H2
InChIKeyXHIXWMUEVHBSBV-UHFFFAOYSA-N
XLogP1.31
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one (CID 82908092) is 1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one is O=c1ccccn1CCN(CC1CCNCC1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one?
The InChIKey is XHIXWMUEVHBSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-16-3-1-2-10-18(16)11-12-19(15-4-5-15)13-14-6-8-17-9-7-14/h1-3,10,14-15,17H,4-9,11-13H2.
What are the key properties of 1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one?
1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one has a molecular weight of 275.40 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 82908092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).