N-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide

C12H21N5O — CID 66197136

IUPACN-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
SMILESN#CCCNC(=O)CN1CC(N2CCNCC2)C1
InChIInChI=1S/C12H21N5O/c13-2-1-3-15-12(18)10-16-8-11(9-16)17-6-4-14-5-7-17/h11,14H,1,3-10H2,(H,15,18)
InChIKeyRRLGVJOIICHMTG-UHFFFAOYSA-N
MW251.33 g/mol
LogP-1.39
Rot. Bonds5

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

N-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide (PubChem CID 66197136) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
PubChem CID66197136
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
SMILESN#CCCNC(=O)CN1CC(N2CCNCC2)C1
InChIInChI=1S/C12H21N5O/c13-2-1-3-15-12(18)10-16-8-11(9-16)17-6-4-14-5-7-17/h11,14H,1,3-10H2,(H,15,18)
InChIKeyRRLGVJOIICHMTG-UHFFFAOYSA-N
XLogP-1.39
TPSA71.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-piperazin-1-ylazetidin-1-yl)pentanenitrile
CID 66195417
N-cyclohexyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66196372
2-[1-[2-(2-cyanoethylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683710
2-(3-piperazin-1-ylazetidin-1-yl)acetonitrile
CID 66197724
N-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500477
N,N-diethyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66197141
N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide
CID 63339386
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide
CID 63847341
N-(2-cyanoethyl)-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
CID 66207467
N-(2-cyanoethyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63241526
N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 46673146
ethyl 1-[2-(2-cyanoethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 34681202

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide (CID 66197136) is N-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide is N#CCCNC(=O)CN1CC(N2CCNCC2)C1.
What is the InChIKey of N-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide?
The InChIKey is RRLGVJOIICHMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c13-2-1-3-15-12(18)10-16-8-11(9-16)17-6-4-14-5-7-17/h11,14H,1,3-10H2,(H,15,18).
What are the key properties of N-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide?
N-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of -1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide is sourced from PubChem (CID 66197136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).