1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone

C19H31N5O — CID 166305194

IUPAC1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCCc1cnc(CN2CCN(CC(=O)N3CCCCCC3)CC2)nc1
InChIInChI=1S/C19H31N5O/c1-2-17-13-20-18(21-14-17)15-22-9-11-23(12-10-22)16-19(25)24-7-5-3-4-6-8-24/h13-14H,2-12,15-16H2,1H3
InChIKeyFXABEUFSVWRLOL-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.56
Rot. Bonds5

About 1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone

1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 166305194) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID166305194
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCCc1cnc(CN2CCN(CC(=O)N3CCCCCC3)CC2)nc1
InChIInChI=1S/C19H31N5O/c1-2-17-13-20-18(21-14-17)15-22-9-11-23(12-10-22)16-19(25)24-7-5-3-4-6-8-24/h13-14H,2-12,15-16H2,1H3
InChIKeyFXABEUFSVWRLOL-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]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

2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56885339
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
2-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 24534604
1-piperidin-1-yl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 9208442
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120897637
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78793298
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
2-(4-cyclopropylidenepiperidin-1-yl)-1-piperidin-1-ylethanone
CID 121184194
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-1-(azepan-1-yl)ethanone
CID 120752571
1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 55432083
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone (CID 166305194) is 1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone is CCc1cnc(CN2CCN(CC(=O)N3CCCCCC3)CC2)nc1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is FXABEUFSVWRLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-2-17-13-20-18(21-14-17)15-22-9-11-23(12-10-22)16-19(25)24-7-5-3-4-6-8-24/h13-14H,2-12,15-16H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 345.49 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-[(5-ethylpyrimidin-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 166305194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).