4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide

C13H24N4O2 — CID 116676223

IUPAC4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C(C)C2CNC2)CC1
InChIInChI=1S/C13H24N4O2/c1-3-15-13(19)17-6-4-16(5-7-17)12(18)10(2)11-8-14-9-11/h10-11,14H,3-9H2,1-2H3,(H,15,19)
InChIKeyLDXMLKBEWQMIQD-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.28
Rot. Bonds3

About 4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide

4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 116676223) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
PubChem CID116676223
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C(C)C2CNC2)CC1
InChIInChI=1S/C13H24N4O2/c1-3-15-13(19)17-6-4-16(5-7-17)12(18)10(2)11-8-14-9-11/h10-11,14H,3-9H2,1-2H3,(H,15,19)
InChIKeyLDXMLKBEWQMIQD-UHFFFAOYSA-N
XLogP-0.28
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one
CID 116674572
4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
CID 107904221
2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 116674207
2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 116677760
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 116678920
N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride
CID 119695730
2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one
CID 116677899
2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 116674439
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
N-ethylpiperazine-1-carboxamide
CID 9207783
1-[2-(azetidin-3-yl)propanoyl]-1,4-diazepan-5-one
CID 116677784

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide (CID 116676223) is 4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)C(C)C2CNC2)CC1.
What is the InChIKey of 4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is LDXMLKBEWQMIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-15-13(19)17-6-4-16(5-7-17)12(18)10(2)11-8-14-9-11/h10-11,14H,3-9H2,1-2H3,(H,15,19).
What are the key properties of 4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide?
4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 268.36 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 116676223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).