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

C14H27N3O2 — CID 60645190

IUPAC1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CCO)CC1)N1CCCCCC1
InChIInChI=1S/C14H27N3O2/c18-12-11-15-7-9-16(10-8-15)13-14(19)17-5-3-1-2-4-6-17/h18H,1-13H2
InChIKeyYFZLSPRCYWZHCC-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.00
Rot. Bonds4

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

1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 60645190) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID60645190
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CCO)CC1)N1CCCCCC1
InChIInChI=1S/C14H27N3O2/c18-12-11-15-7-9-16(10-8-15)13-14(19)17-5-3-1-2-4-6-17/h18H,1-13H2
InChIKeyYFZLSPRCYWZHCC-UHFFFAOYSA-N
XLogP-0.00
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-1-yl)-2-[4-(5-hydroxypentyl)piperazin-1-yl]ethanone
CID 110923764
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253082
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 71131603
4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
CID 22047729
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253151
oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 171669466
2-(4-cyclopropylidenepiperidin-1-yl)-1-piperidin-1-ylethanone
CID 121184194

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 60645190) is 1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is O=C(CN1CCN(CCO)CC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is YFZLSPRCYWZHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c18-12-11-15-7-9-16(10-8-15)13-14(19)17-5-3-1-2-4-6-17/h18H,1-13H2.
What are the key properties of 1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 269.39 g/mol, XLogP of -0.00, 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-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60645190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).