N,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide

C13H26N4O — CID 66197141

IUPACN,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
SMILESCCN(CC)C(=O)CN1CC(N2CCNCC2)C1
InChIInChI=1S/C13H26N4O/c1-3-16(4-2)13(18)11-15-9-12(10-15)17-7-5-14-6-8-17/h12,14H,3-11H2,1-2H3
InChIKeyKKJSSLSEDBMRIM-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.56
Rot. Bonds5

About N,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide

N,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide (PubChem CID 66197141) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
PubChem CID66197141
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
SMILESCCN(CC)C(=O)CN1CC(N2CCNCC2)C1
InChIInChI=1S/C13H26N4O/c1-3-16(4-2)13(18)11-15-9-12(10-15)17-7-5-14-6-8-17/h12,14H,3-11H2,1-2H3
InChIKeyKKJSSLSEDBMRIM-UHFFFAOYSA-N
XLogP-0.56
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N,N-diethylacetamide
CID 95616410
N-cyclohexyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66196372
N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 107398558
N-cyclopentyl-N-ethyl-2-piperazin-1-ylacetamide
CID 43541539
N,N-diethyl-2-(2-oxopiperazin-1-yl)acetamide
CID 62311999
methyl 3-(3-piperazin-1-ylazetidin-1-yl)propanoate
CID 66197137
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43397406
1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 59625808
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-piperazin-1-ylacetamide
CID 43348706
1-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]pyrrolidin-2-one
CID 66195419
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide (CID 66197141) is N,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide is CCN(CC)C(=O)CN1CC(N2CCNCC2)C1.
What is the InChIKey of N,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide?
The InChIKey is KKJSSLSEDBMRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-3-16(4-2)13(18)11-15-9-12(10-15)17-7-5-14-6-8-17/h12,14H,3-11H2,1-2H3.
What are the key properties of N,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide?
N,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide has a molecular weight of 254.38 g/mol, XLogP of -0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide is sourced from PubChem (CID 66197141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).