N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide

C15H29N3O — CID 65019297

IUPACN-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
SMILESO=C(NCCN1CCNCC1)C1CCCCCCC1
InChIInChI=1S/C15H29N3O/c19-15(14-6-4-2-1-3-5-7-14)17-10-13-18-11-8-16-9-12-18/h14,16H,1-13H2,(H,17,19)
InChIKeyHWFYNSUDZSZSTF-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.37
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide

N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide (PubChem CID 65019297) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
PubChem CID65019297
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
SMILESO=C(NCCN1CCNCC1)C1CCCCCCC1
InChIInChI=1S/C15H29N3O/c19-15(14-6-4-2-1-3-5-7-14)17-10-13-18-11-8-16-9-12-18/h14,16H,1-13H2,(H,17,19)
InChIKeyHWFYNSUDZSZSTF-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperazin-1-ylethyl)oxane-3-carboxamide
CID 55109658
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 61241814
1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
CID 4056008
1,1-dioxo-N-(2-piperazin-1-ylethyl)thiane-2-carboxamide
CID 104517894
1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61408074
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
CID 3034507
N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide
CID 62760131
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997
1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119447778
1-butylsulfonyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
CID 119446203
N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride
CID 119901172

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide (CID 65019297) is N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide is O=C(NCCN1CCNCC1)C1CCCCCCC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide?
The InChIKey is HWFYNSUDZSZSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c19-15(14-6-4-2-1-3-5-7-14)17-10-13-18-11-8-16-9-12-18/h14,16H,1-13H2,(H,17,19).
What are the key properties of N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide?
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide is sourced from PubChem (CID 65019297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).