1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone

C14H26N4O2 — CID 66216521

IUPAC1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone
SMILESCCCN(CC(=O)N1CCN(C(C)=O)CC1)C1CNC1
InChIInChI=1S/C14H26N4O2/c1-3-4-18(13-9-15-10-13)11-14(20)17-7-5-16(6-8-17)12(2)19/h13,15H,3-11H2,1-2H3
InChIKeyCMQCWXYNVADNSQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.64
Rot. Bonds5

About 1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone

1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone (PubChem CID 66216521) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone
PubChem CID66216521
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone
SMILESCCCN(CC(=O)N1CCN(C(C)=O)CC1)C1CNC1
InChIInChI=1S/C14H26N4O2/c1-3-4-18(13-9-15-10-13)11-14(20)17-7-5-16(6-8-17)12(2)19/h13,15H,3-11H2,1-2H3
InChIKeyCMQCWXYNVADNSQ-UHFFFAOYSA-N
XLogP-0.64
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 66216113
1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 55203821
2-[azetidin-3-yl(propyl)amino]-N,N-dimethylacetamide
CID 62784248
N-(2-methylprop-2-enyl)-N-propylazetidin-3-amine
CID 66215524
1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one
CID 62029166
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157923
2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 66214520
1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 60806824
2-[azetidin-3-yl(propyl)amino]-N-cyclopropylacetamide
CID 66216105
N-(2-bromoprop-2-enyl)-N-propylazetidin-3-amine
CID 66214310
1-[2-[cyclopropyl(propyl)amino]acetyl]piperidine-4-carbohydrazide
CID 63572523
N-(azetidin-3-yl)-N-propylpyrrolidine-1-carboxamide
CID 79161145

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone (CID 66216521) is 1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone is CCCN(CC(=O)N1CCN(C(C)=O)CC1)C1CNC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone?
The InChIKey is CMQCWXYNVADNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-3-4-18(13-9-15-10-13)11-14(20)17-7-5-16(6-8-17)12(2)19/h13,15H,3-11H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone has a molecular weight of 282.39 g/mol, XLogP of -0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone is sourced from PubChem (CID 66216521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).