N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide

C14H28N4O2 — CID 78827366

IUPACN-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide
SMILESCCCCCNC(=O)CN1CCN(C(=O)NCC)CC1
InChIInChI=1S/C14H28N4O2/c1-3-5-6-7-16-13(19)12-17-8-10-18(11-9-17)14(20)15-4-2/h3-12H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyDPOVPIFEDUEUMJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.64
Rot. Bonds7

About N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide

N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide (PubChem CID 78827366) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide
PubChem CID78827366
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide
SMILESCCCCCNC(=O)CN1CCN(C(=O)NCC)CC1
InChIInChI=1S/C14H28N4O2/c1-3-5-6-7-16-13(19)12-17-8-10-18(11-9-17)14(20)15-4-2/h3-12H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyDPOVPIFEDUEUMJ-UHFFFAOYSA-N
XLogP0.64
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
2-(azepan-1-yl)-N-pentylacetamide
CID 109006030
N-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610
N-dodecyl-2-piperidin-1-ylacetamide
CID 3064220
N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 22272726
N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
CID 22272678
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
N-butylaziridine-1-carboxamide
CID 55206947
N,4-diethylpiperazine-1-carboxamide
CID 22309084

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide (CID 78827366) is N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide is CCCCCNC(=O)CN1CCN(C(=O)NCC)CC1.
What is the InChIKey of N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is DPOVPIFEDUEUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-3-5-6-7-16-13(19)12-17-8-10-18(11-9-17)14(20)15-4-2/h3-12H2,1-2H3,(H,15,20)(H,16,19).
What are the key properties of N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide?
N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 78827366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).