ethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate

C14H27N3O3 — CID 3874451

IUPACethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate
SMILESCCCCCNC(=O)N1CCN(CC(=O)OCC)CC1
InChIInChI=1S/C14H27N3O3/c1-3-5-6-7-15-14(19)17-10-8-16(9-11-17)12-13(18)20-4-2/h3-12H2,1-2H3,(H,15,19)
InChIKeyUOLXKNPWBCUHJN-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.07
Rot. Bonds7

About ethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate

ethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate (PubChem CID 3874451) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is ethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate
PubChem CID3874451
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nameethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate
SMILESCCCCCNC(=O)N1CCN(CC(=O)OCC)CC1
InChIInChI=1S/C14H27N3O3/c1-3-5-6-7-15-14(19)17-10-8-16(9-11-17)12-13(18)20-4-2/h3-12H2,1-2H3,(H,15,19)
InChIKeyUOLXKNPWBCUHJN-UHFFFAOYSA-N
XLogP1.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 2,2'-[piperazine-1,4-diylbis(carbonylazanediyl)]diacetate
CID 44533096
1-Butyl-3-(2-morpholinoethyl)urea
CID 1632256
Ethyl N-[4-(2-ethoxy-2-oxoethyl)piperazine-1-carbonyl]glycinate
CID 235804
ethyl N-{4-[(pyrrolidin-1-yl)methyl]piperidine-1-carbonyl}glycinate
CID 20907546
Ethyl 2-[(3-morpholin-4-ylpiperidine-1-carbonyl)amino]acetate
CID 126461881
N-(2-Ethoxy-2-oxoethyl)-4-methylpiperazine-1-carboximidic acid
CID 236647
1-(2-Morpholin-4-ylethyl)-3-propylurea
CID 4583080
N-hexylmorpholin-4-ylcarboxamide
CID 4626364
N-pentylmorpholine-4-carboxamide
CID 4984479
N-[(Butylamino)carbonyl]glycine, ethyl ester
CID 14885219
Ethyl 2-[(4-methylpiperidyl)carbonylamino]acetate
CID 17174447
3-Piperidin-1-ylmorpholin-2-one
CID 20263285

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate (CID 3874451) is ethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate is CCCCCNC(=O)N1CCN(CC(=O)OCC)CC1.
What is the InChIKey of ethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate?
The InChIKey is UOLXKNPWBCUHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-5-6-7-15-14(19)17-10-8-16(9-11-17)12-13(18)20-4-2/h3-12H2,1-2H3,(H,15,19).
What are the key properties of ethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate?
ethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate has a molecular weight of 285.39 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(pentylcarbamoyl)piperazin-1-yl]acetate is sourced from PubChem (CID 3874451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).