cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C17H25N3O — CID 78798588

IUPACcyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C17H25N3O/c21-17(16-4-2-1-3-5-16)20-12-10-19(11-13-20)14-15-6-8-18-9-7-15/h6-9,16H,1-5,10-14H2
InChIKeyGTVMJIGEDGAGPX-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.31
Rot. Bonds3

About cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 78798588) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID78798588
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Namecyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C17H25N3O/c21-17(16-4-2-1-3-5-16)20-12-10-19(11-13-20)14-15-6-8-18-9-7-15/h6-9,16H,1-5,10-14H2
InChIKeyGTVMJIGEDGAGPX-UHFFFAOYSA-N
XLogP2.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
CID 47030918
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
(2-hydroxycyclopentyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 110013764
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10180603
[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10271980
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 20754558
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 70310445
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 31370396
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 97188319

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 78798588) is cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is O=C(C1CCCCC1)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is GTVMJIGEDGAGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(16-4-2-1-3-5-16)20-12-10-19(11-13-20)14-15-6-8-18-9-7-15/h6-9,16H,1-5,10-14H2.
What are the key properties of cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 287.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78798588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).