2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide

C18H29N3O2 — CID 108922113

IUPAC2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide
SMILESN#CCC(=O)NCC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C18H29N3O2/c19-11-8-17(22)20-14-16-9-12-21(13-10-16)18(23)7-6-15-4-2-1-3-5-15/h15-16H,1-10,12-14H2,(H,20,22)
InChIKeyXULRHCQYZYWUIX-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.62
Rot. Bonds6

About 2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide

2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide (PubChem CID 108922113) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide
PubChem CID108922113
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide
SMILESN#CCC(=O)NCC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C18H29N3O2/c19-11-8-17(22)20-14-16-9-12-21(13-10-16)18(23)7-6-15-4-2-1-3-5-15/h15-16H,1-10,12-14H2,(H,20,22)
InChIKeyXULRHCQYZYWUIX-UHFFFAOYSA-N
XLogP2.62
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]acetamide
CID 108922247
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
2-cyano-N-[[1-[(E)-3-cyclohexylprop-2-enoyl]piperidin-4-yl]methyl]acetamide
CID 108922299
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
CID 108922132
2-cyano-N-[[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]methyl]acetamide
CID 108922137
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-methoxypropanamide
CID 108922134
2-cyano-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]acetamide
CID 108922287
2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide
CID 108922121
N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922215
2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide
CID 108922213
3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
CID 91913388
(E)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3,4,4-trimethylpent-2-enamide
CID 108922316

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide (CID 108922113) is 2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide is N#CCC(=O)NCC1CCN(C(=O)CCC2CCCCC2)CC1.
What is the InChIKey of 2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is XULRHCQYZYWUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c19-11-8-17(22)20-14-16-9-12-21(13-10-16)18(23)7-6-15-4-2-1-3-5-15/h15-16H,1-10,12-14H2,(H,20,22).
What are the key properties of 2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide?
2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 108922113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).