2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone

C14H28N4O — CID 63635976

IUPAC2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone
SMILESCCC1CN(C(=O)CN2CCCNCC2)CCN1C
InChIInChI=1S/C14H28N4O/c1-3-13-11-18(10-9-16(13)2)14(19)12-17-7-4-5-15-6-8-17/h13,15H,3-12H2,1-2H3
InChIKeyUQMXRHINDVASET-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.17
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone

2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone (PubChem CID 63635976) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone
PubChem CID63635976
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone
SMILESCCC1CN(C(=O)CN2CCCNCC2)CCN1C
InChIInChI=1S/C14H28N4O/c1-3-13-11-18(10-9-16(13)2)14(19)12-17-7-4-5-15-6-8-17/h13,15H,3-12H2,1-2H3
InChIKeyUQMXRHINDVASET-UHFFFAOYSA-N
XLogP-0.17
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-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-(1,4-diazepan-1-yl)-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone
CID 106668995
2-(1,4-diazepan-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 63166632
2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 55123228
2-(1,4-diazepan-1-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64598090
2-(1,4-diazepan-1-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167161
1-(1,4-diazepan-1-yl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 63611089
2-(1,4-diazepan-1-yl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone
CID 81464952
1-(2-ethylmorpholin-4-yl)-2-piperazin-1-ylethanone
CID 43563037
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
1-[2-(1,4-diazepan-1-yl)acetyl]-4-ethylpiperidine-4-carboxylic acid
CID 63125536
2-(1,4-diazepan-1-yl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62833293
2-[2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569935

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone (CID 63635976) is 2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone is CCC1CN(C(=O)CN2CCCNCC2)CCN1C.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone?
The InChIKey is UQMXRHINDVASET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-3-13-11-18(10-9-16(13)2)14(19)12-17-7-4-5-15-6-8-17/h13,15H,3-12H2,1-2H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone?
2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone has a molecular weight of 268.40 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-1-(3-ethyl-4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 63635976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).