2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dipropylacetamide

C20H38N4O2 — CID 52520382

IUPAC2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H38N4O2/c1-3-9-23(10-4-2)19(25)17-21-13-15-22(16-14-21)18-20(26)24-11-7-5-6-8-12-24/h3-18H2,1-2H3
InChIKeyMSOFAMDHMBQIBZ-UHFFFAOYSA-N
MW366.55 g/mol
LogP1.66
Rot. Bonds8

About 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dipropylacetamide

2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dipropylacetamide (PubChem CID 52520382) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dipropylacetamide
PubChem CID52520382
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H38N4O2/c1-3-9-23(10-4-2)19(25)17-21-13-15-22(16-14-21)18-20(26)24-11-7-5-6-8-12-24/h3-18H2,1-2H3
InChIKeyMSOFAMDHMBQIBZ-UHFFFAOYSA-N
XLogP1.66
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one
CID 53013997
1-(2,6-Dimethylpiperidin-1-yl)-2-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 53548501
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 95337344
1-(4-methylpiperazin-1-yl)-2-[(3S)-3-(4-methylpiperazin-1-yl)azepan-1-yl]ethanone
CID 97803391
1,4-Didecylpiperazine-2,3-dione
CID 10069235
Dioctyl diketopiperazine
CID 162393250
1-(Azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 8006898
2-[3-(azepan-1-yl)piperidin-1-yl]-N,N-bis(2-cyanoethyl)acetamide
CID 53613614
N,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide
CID 71863183
Oxalic acid, diamide, N,N,N',N'-tetrahexyl-
CID 6424911
N,N-dioctyl-2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)acetamide
CID 20686727
1-(Azepan-1-yl)-2-piperidin-1-ylethanone
CID 45794876

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dipropylacetamide (CID 52520382) is 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1.
What is the InChIKey of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dipropylacetamide?
The InChIKey is MSOFAMDHMBQIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-3-9-23(10-4-2)19(25)17-21-13-15-22(16-14-21)18-20(26)24-11-7-5-6-8-12-24/h3-18H2,1-2H3.
What are the key properties of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dipropylacetamide?
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dipropylacetamide has a molecular weight of 366.55 g/mol, XLogP of 1.66, 8 rotatable bonds, 0 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]-N,N-dipropylacetamide is sourced from PubChem (CID 52520382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).