[4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone

C18H26N6O — CID 30881980

IUPAC[4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCC(n2cc(CC3CCCCC3)nn2)CC1
InChIInChI=1S/C18H26N6O/c25-18(17-11-19-13-20-17)23-8-6-16(7-9-23)24-12-15(21-22-24)10-14-4-2-1-3-5-14/h11-14,16H,1-10H2,(H,19,20)
InChIKeyYMBILWOKHVVHRQ-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.60
Rot. Bonds4

About [4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone

[4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone (PubChem CID 30881980) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is [4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
PubChem CID30881980
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name[4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCC(n2cc(CC3CCCCC3)nn2)CC1
InChIInChI=1S/C18H26N6O/c25-18(17-11-19-13-20-17)23-8-6-16(7-9-23)24-12-15(21-22-24)10-14-4-2-1-3-5-14/h11-14,16H,1-10H2,(H,19,20)
InChIKeyYMBILWOKHVVHRQ-UHFFFAOYSA-N
XLogP2.60
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;1H-imidazol-5-yl(piperidin-1-yl)methanone
CID 142344786
[(3R)-3-(aminomethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 129371649
1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 125144377
1H-imidazol-5-yl-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 125144378
1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 89293635
(2S,4R)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 154891264
2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072045
1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568032
2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone
CID 46997089
2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid
CID 116735154
(3,5-dimethyl-1H-pyrrol-2-yl)-[4-[4-(2-hydroxypropyl)triazol-1-yl]piperidin-1-yl]methanone
CID 45186032
fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone
CID 167484753

Frequently Asked Questions

What is the IUPAC name of [4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
The IUPAC name of [4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone (CID 30881980) is [4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for [4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
The canonical SMILES for [4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone is O=C(c1cnc[nH]1)N1CCC(n2cc(CC3CCCCC3)nn2)CC1.
What is the InChIKey of [4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
The InChIKey is YMBILWOKHVVHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c25-18(17-11-19-13-20-17)23-8-6-16(7-9-23)24-12-15(21-22-24)10-14-4-2-1-3-5-14/h11-14,16H,1-10H2,(H,19,20).
What are the key properties of [4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone?
[4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone has a molecular weight of 342.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(cyclohexylmethyl)triazol-1-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 30881980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).