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

C16H32N4O — CID 63343509

IUPAC2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone
SMILESCC(C)(CN)N1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H32N4O/c1-16(2,14-17)20-11-9-18(10-12-20)13-15(21)19-7-5-3-4-6-8-19/h3-14,17H2,1-2H3
InChIKeyALJCXHJDZSRLME-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.74
Rot. Bonds4

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

2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone (PubChem CID 63343509) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone
PubChem CID63343509
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone
SMILESCC(C)(CN)N1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H32N4O/c1-16(2,14-17)20-11-9-18(10-12-20)13-15(21)19-7-5-3-4-6-8-19/h3-14,17H2,1-2H3
InChIKeyALJCXHJDZSRLME-UHFFFAOYSA-N
XLogP0.74
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanethioamide
CID 63342451
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide
CID 78808255
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 71131603
4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one
CID 120594917
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone
CID 107160703
1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 60645190
2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253082
4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
CID 22047729

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone?
The IUPAC name of 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone (CID 63343509) is 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone.
What is the SMILES notation for 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone?
The canonical SMILES for 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone is CC(C)(CN)N1CCN(CC(=O)N2CCCCCC2)CC1.
What is the InChIKey of 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone?
The InChIKey is ALJCXHJDZSRLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-16(2,14-17)20-11-9-18(10-12-20)13-15(21)19-7-5-3-4-6-8-19/h3-14,17H2,1-2H3.
What are the key properties of 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone?
2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone has a molecular weight of 296.46 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone is sourced from PubChem (CID 63343509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).