N'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide

C18H30N4O2 — CID 108517979

IUPACN'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide
SMILESO=C(NCCN1CCNCC1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N4O2/c23-16(20-3-6-22-4-1-19-2-5-22)17(24)21-18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15,19H,1-12H2,(H,20,23)(H,21,24)
InChIKeyXWXWVGBFLPANIJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP0.09
Rot. Bonds4

About N'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide

N'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide (PubChem CID 108517979) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide
PubChem CID108517979
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide
SMILESO=C(NCCN1CCNCC1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N4O2/c23-16(20-3-6-22-4-1-19-2-5-22)17(24)21-18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15,19H,1-12H2,(H,20,23)(H,21,24)
InChIKeyXWXWVGBFLPANIJ-UHFFFAOYSA-N
XLogP0.09
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(1-adamantyl)ethyl]-N-(2-piperazin-1-ylethyl)oxamide
CID 108509043
1-(1-adamantyl)-6-piperazin-1-ylhexan-1-one
CID 158852171
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732
N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide
CID 25192712
N'-(1,1-dioxothiolan-3-yl)-N-(2-piperazin-1-ylethyl)oxamide
CID 108517864
N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide
CID 108517977
N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide
CID 108517854
N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide
CID 108517726
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
CID 3034507
N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide
CID 108500963
N-[2-(1,4-diazepan-1-yl)ethyl]acetamide
CID 43162540

Frequently Asked Questions

What is the IUPAC name of N'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide?
The IUPAC name of N'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide (CID 108517979) is N'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide.
What is the SMILES notation for N'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide?
The canonical SMILES for N'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide is O=C(NCCN1CCNCC1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide?
The InChIKey is XWXWVGBFLPANIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c23-16(20-3-6-22-4-1-19-2-5-22)17(24)21-18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15,19H,1-12H2,(H,20,23)(H,21,24).
What are the key properties of N'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide?
N'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide has a molecular weight of 334.46 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-adamantyl)-N-(2-piperazin-1-ylethyl)oxamide is sourced from PubChem (CID 108517979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).