[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone

C17H29N5O — CID 46991450

IUPAC[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone
SMILESCC(C)(N)c1cn(C2CCN(C(=O)C3CCCCC3)CC2)nn1
InChIInChI=1S/C17H29N5O/c1-17(2,18)15-12-22(20-19-15)14-8-10-21(11-9-14)16(23)13-6-4-3-5-7-13/h12-14H,3-11,18H2,1-2H3
InChIKeyMFBVNSZACIZWAG-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.22
Rot. Bonds3

About [4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone

[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone (PubChem CID 46991450) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is [4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone
PubChem CID46991450
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone
SMILESCC(C)(N)c1cn(C2CCN(C(=O)C3CCCCC3)CC2)nn1
InChIInChI=1S/C17H29N5O/c1-17(2,18)15-12-22(20-19-15)14-8-10-21(11-9-14)16(23)13-6-4-3-5-7-13/h12-14H,3-11,18H2,1-2H3
InChIKeyMFBVNSZACIZWAG-UHFFFAOYSA-N
XLogP2.22
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 46985353
2-[1-[1-(thian-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 154925181
[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 31225171
3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one
CID 46992366
2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine
CID 46990920
[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 46992385
1-[1-(3-cyclohexyl-3-methylbutanoyl)piperidin-4-yl]triazole-4-carboxylic acid
CID 167905746
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
cyclopropyl-[4-(4-hydroxypyrazol-1-yl)piperidin-1-yl]methanone
CID 166595328
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
aziridin-1-yl(cyclohexyl)methanone
CID 2309619

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone (CID 46991450) is [4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone is CC(C)(N)c1cn(C2CCN(C(=O)C3CCCCC3)CC2)nn1.
What is the InChIKey of [4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone?
The InChIKey is MFBVNSZACIZWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-17(2,18)15-12-22(20-19-15)14-8-10-21(11-9-14)16(23)13-6-4-3-5-7-13/h12-14H,3-11,18H2,1-2H3.
What are the key properties of [4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone?
[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone has a molecular weight of 319.45 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 46991450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).