N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide

C19H34N6O — CID 121495008

IUPACN-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCC1CCCCCCC1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C19H34N6O/c26-19(21-9-8-18-6-4-2-1-3-5-7-18)24-13-10-23(11-14-24)12-15-25-17-20-16-22-25/h16-18H,1-15H2,(H,21,26)
InChIKeyDOUSNOFWTVRJAR-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.36
Rot. Bonds6

About N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide

N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide (PubChem CID 121495008) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
PubChem CID121495008
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC NameN-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCC1CCCCCCC1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C19H34N6O/c26-19(21-9-8-18-6-4-2-1-3-5-7-18)24-13-10-23(11-14-24)12-15-25-17-20-16-22-25/h16-18H,1-15H2,(H,21,26)
InChIKeyDOUSNOFWTVRJAR-UHFFFAOYSA-N
XLogP2.36
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide (CID 121495008) is N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide is O=C(NCCC1CCCCCCC1)N1CCN(CCn2cncn2)CC1.
What is the InChIKey of N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is DOUSNOFWTVRJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c26-19(21-9-8-18-6-4-2-1-3-5-7-18)24-13-10-23(11-14-24)12-15-25-17-20-16-22-25/h16-18H,1-15H2,(H,21,26).
What are the key properties of N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide?
N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclooctylethyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 121495008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).