N-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide

C13H25N5O2 — CID 66196768

IUPACN-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H25N5O2/c1-3-15-13(20)16-12(19)10(2)18-8-11(9-18)17-6-4-14-5-7-17/h10-11,14H,3-9H2,1-2H3,(H2,15,16,19,20)
InChIKeyAXSIXWDARCRDSD-UHFFFAOYSA-N
MW283.38 g/mol
LogP-1.19
Rot. Bonds4

About N-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide

N-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide (PubChem CID 66196768) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide
PubChem CID66196768
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC NameN-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H25N5O2/c1-3-15-13(20)16-12(19)10(2)18-8-11(9-18)17-6-4-14-5-7-17/h10-11,14H,3-9H2,1-2H3,(H2,15,16,19,20)
InChIKeyAXSIXWDARCRDSD-UHFFFAOYSA-N
XLogP-1.19
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide (CID 66196768) is N-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide is CCNC(=O)NC(=O)C(C)N1CC(N2CCNCC2)C1.
What is the InChIKey of N-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide?
The InChIKey is AXSIXWDARCRDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-3-15-13(20)16-12(19)10(2)18-8-11(9-18)17-6-4-14-5-7-17/h10-11,14H,3-9H2,1-2H3,(H2,15,16,19,20).
What are the key properties of N-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide?
N-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide has a molecular weight of 283.38 g/mol, XLogP of -1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide is sourced from PubChem (CID 66196768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).