2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide

C14H26N4O2 — CID 34905324

IUPAC2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H26N4O2/c15-13(19)11-16-7-9-17(10-8-16)12-14(20)18-5-3-1-2-4-6-18/h1-12H2,(H2,15,19)
InChIKeyMQBPDCOXZJIRQO-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.51
Rot. Bonds4

About 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide

2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 34905324) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID34905324
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H26N4O2/c15-13(19)11-16-7-9-17(10-8-16)12-14(20)18-5-3-1-2-4-6-18/h1-12H2,(H2,15,19)
InChIKeyMQBPDCOXZJIRQO-UHFFFAOYSA-N
XLogP-0.51
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide (CID 34905324) is 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide is NC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1.
What is the InChIKey of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is MQBPDCOXZJIRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c15-13(19)11-16-7-9-17(10-8-16)12-14(20)18-5-3-1-2-4-6-18/h1-12H2,(H2,15,19).
What are the key properties of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide?
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 282.39 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 34905324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).