ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate

C16H25N5O3 — CID 42342593

IUPACethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cn(C3CCCCC3)nn2)CC1
InChIInChI=1S/C16H25N5O3/c1-2-24-16(23)20-10-8-19(9-11-20)15(22)14-12-21(18-17-14)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3
InChIKeyNCARKLIDDOXRPW-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.70
Rot. Bonds3

About ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate

ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate (PubChem CID 42342593) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
PubChem CID42342593
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Nameethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cn(C3CCCCC3)nn2)CC1
InChIInChI=1S/C16H25N5O3/c1-2-24-16(23)20-10-8-19(9-11-20)15(22)14-12-21(18-17-14)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3
InChIKeyNCARKLIDDOXRPW-UHFFFAOYSA-N
XLogP1.70
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 56912845
[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 26318869
tert-butyl 3-[4-(aziridine-1-carbonyl)triazol-1-yl]piperidine-1-carboxylate
CID 103954440
(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 45191024
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate
CID 58493124
[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 45215437
(1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
CID 25381434
4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one
CID 42357884
ethyl 1-(thian-4-yl)triazole-4-carboxylate
CID 122241137
methyl (2S)-1-(1-cyclohexyltriazole-4-carbonyl)piperidine-2-carboxylate
CID 42355771
(1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 42190508

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate (CID 42342593) is ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cn(C3CCCCC3)nn2)CC1.
What is the InChIKey of ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is NCARKLIDDOXRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-2-24-16(23)20-10-8-19(9-11-20)15(22)14-12-21(18-17-14)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3.
What are the key properties of ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate?
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 335.41 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 42342593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).