2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide

C23H46N4O2 — CID 139356811

IUPAC2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide
SMILESCCN(CC)CC(=O)NC1CC(OC2CCN(CC(C)CC(C)CNC)CC2)C1
InChIInChI=1S/C23H46N4O2/c1-6-26(7-2)17-23(28)25-20-13-22(14-20)29-21-8-10-27(11-9-21)16-19(4)12-18(3)15-24-5/h18-22,24H,6-17H2,1-5H3,(H,25,28)
InChIKeyLPSMLCMFFVWZPL-UHFFFAOYSA-N
MW410.65 g/mol
LogP2.34
Rot. Bonds13

About 2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide

2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide (PubChem CID 139356811) has the molecular formula C23H46N4O2 and a molecular weight of 410.65 g/mol. Its IUPAC name is 2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide
PubChem CID139356811
Molecular FormulaC23H46N4O2
Molecular Weight410.65 g/mol
Exact Mass410.36
IUPAC Name2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide
SMILESCCN(CC)CC(=O)NC1CC(OC2CCN(CC(C)CC(C)CNC)CC2)C1
InChIInChI=1S/C23H46N4O2/c1-6-26(7-2)17-23(28)25-20-13-22(14-20)29-21-8-10-27(11-9-21)16-19(4)12-18(3)15-24-5/h18-22,24H,6-17H2,1-5H3,(H,25,28)
InChIKeyLPSMLCMFFVWZPL-UHFFFAOYSA-N
XLogP2.34
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.65
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide (CID 139356811) is 2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide is CCN(CC)CC(=O)NC1CC(OC2CCN(CC(C)CC(C)CNC)CC2)C1.
What is the InChIKey of 2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide?
The InChIKey is LPSMLCMFFVWZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N4O2/c1-6-26(7-2)17-23(28)25-20-13-22(14-20)29-21-8-10-27(11-9-21)16-19(4)12-18(3)15-24-5/h18-22,24H,6-17H2,1-5H3,(H,25,28).
What are the key properties of 2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide?
2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide has a molecular weight of 410.65 g/mol, XLogP of 2.34, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide is sourced from PubChem (CID 139356811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).