1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone

C15H29N3O2 — CID 71783366

IUPAC1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone
SMILESCC(O)CN1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-14(19)12-16-8-10-17(11-9-16)13-15(20)18-6-4-2-3-5-7-18/h14,19H,2-13H2,1H3
InChIKeyZEEFSTMXDNDUJX-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.39
Rot. Bonds4

About 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone

1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone (PubChem CID 71783366) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone
PubChem CID71783366
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone
SMILESCC(O)CN1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-14(19)12-16-8-10-17(11-9-16)13-15(20)18-6-4-2-3-5-7-18/h14,19H,2-13H2,1H3
InChIKeyZEEFSTMXDNDUJX-UHFFFAOYSA-N
XLogP0.39
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone (CID 71783366) is 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone is CC(O)CN1CCN(CC(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone?
The InChIKey is ZEEFSTMXDNDUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-14(19)12-16-8-10-17(11-9-16)13-15(20)18-6-4-2-3-5-7-18/h14,19H,2-13H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone has a molecular weight of 283.42 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71783366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).