N-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide

C22H42N4O2 — CID 54284932

IUPACN-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCCN(CCN(CC)C(=O)CC1CCN(C)CC1)C(=O)CC1CCN(C)CC1
InChIInChI=1S/C22H42N4O2/c1-5-25(21(27)17-19-7-11-23(3)12-8-19)15-16-26(6-2)22(28)18-20-9-13-24(4)14-10-20/h19-20H,5-18H2,1-4H3
InChIKeyRTLFWNZFTZNVKQ-UHFFFAOYSA-N
MW394.60 g/mol
LogP2.15
Rot. Bonds9

About N-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide

N-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 54284932) has the molecular formula C22H42N4O2 and a molecular weight of 394.60 g/mol. Its IUPAC name is N-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID54284932
Molecular FormulaC22H42N4O2
Molecular Weight394.60 g/mol
Exact Mass394.33
IUPAC NameN-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide
SMILESCCN(CCN(CC)C(=O)CC1CCN(C)CC1)C(=O)CC1CCN(C)CC1
InChIInChI=1S/C22H42N4O2/c1-5-25(21(27)17-19-7-11-23(3)12-8-19)15-16-26(6-2)22(28)18-20-9-13-24(4)14-10-20/h19-20H,5-18H2,1-4H3
InChIKeyRTLFWNZFTZNVKQ-UHFFFAOYSA-N
XLogP2.15
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.60
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide (CID 54284932) is N-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide is CCN(CCN(CC)C(=O)CC1CCN(C)CC1)C(=O)CC1CCN(C)CC1.
What is the InChIKey of N-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is RTLFWNZFTZNVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O2/c1-5-25(21(27)17-19-7-11-23(3)12-8-19)15-16-26(6-2)22(28)18-20-9-13-24(4)14-10-20/h19-20H,5-18H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide?
N-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 394.60 g/mol, XLogP of 2.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 54284932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).