[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone

C19H28N6O — CID 29255005

IUPAC[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCC(Cn2cc(C3CCCCC3)nn2)CC1
InChIInChI=1S/C19H28N6O/c1-23-12-9-20-18(23)19(26)24-10-7-15(8-11-24)13-25-14-17(21-22-25)16-5-3-2-4-6-16/h9,12,14-16H,2-8,10-11,13H2,1H3
InChIKeyDNENWLVBYBINDU-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.61
Rot. Bonds4

About [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone

[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 29255005) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID29255005
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCC(Cn2cc(C3CCCCC3)nn2)CC1
InChIInChI=1S/C19H28N6O/c1-23-12-9-20-18(23)19(26)24-10-7-15(8-11-24)13-25-14-17(21-22-25)16-5-3-2-4-6-16/h9,12,14-16H,2-8,10-11,13H2,1H3
InChIKeyDNENWLVBYBINDU-UHFFFAOYSA-N
XLogP2.61
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole
CID 51354587
1-[4-[(5-Imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95825000
1-[3-[(5-Imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110257309
1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 124917961
3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472697
(7R)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339509
(7S)-3-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339510
1-[4-(4-Cyclopentyltriazol-1-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone;2,2,2-trifluoroacetic acid
CID 154885145
(1-Methylimidazol-2-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 154890013
[4-[(4-Cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 171321194
2-[2-Methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 58592719
2-[2-Methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 58592883

Frequently Asked Questions

What is the IUPAC name of [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone (CID 29255005) is [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)N1CCC(Cn2cc(C3CCCCC3)nn2)CC1.
What is the InChIKey of [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is DNENWLVBYBINDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-23-12-9-20-18(23)19(26)24-10-7-15(8-11-24)13-25-14-17(21-22-25)16-5-3-2-4-6-16/h9,12,14-16H,2-8,10-11,13H2,1H3.
What are the key properties of [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone?
[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 356.47 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 29255005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).