N-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide

C17H34N4O2 — CID 166776952

IUPACN-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide
SMILESCCN(CCNC(=O)C(C)C)CC(=O)NCCN1CCCCC1
InChIInChI=1S/C17H34N4O2/c1-4-20(12-9-19-17(23)15(2)3)14-16(22)18-8-13-21-10-6-5-7-11-21/h15H,4-14H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyHSPBTXQIVHPIPU-UHFFFAOYSA-N
MW326.49 g/mol
LogP0.68
Rot. Bonds10

About N-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide

N-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide (PubChem CID 166776952) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide
PubChem CID166776952
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC NameN-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide
SMILESCCN(CCNC(=O)C(C)C)CC(=O)NCCN1CCCCC1
InChIInChI=1S/C17H34N4O2/c1-4-20(12-9-19-17(23)15(2)3)14-16(22)18-8-13-21-10-6-5-7-11-21/h15H,4-14H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyHSPBTXQIVHPIPU-UHFFFAOYSA-N
XLogP0.68
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide (CID 166776952) is N-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide is CCN(CCNC(=O)C(C)C)CC(=O)NCCN1CCCCC1.
What is the InChIKey of N-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide?
The InChIKey is HSPBTXQIVHPIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-4-20(12-9-19-17(23)15(2)3)14-16(22)18-8-13-21-10-6-5-7-11-21/h15H,4-14H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide?
N-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide has a molecular weight of 326.49 g/mol, XLogP of 0.68, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 166776952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).