N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide

C12H19N3O2 — CID 108922132

IUPACN-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
SMILESCCC(=O)NCC1CCN(C(=O)CC#N)CC1
InChIInChI=1S/C12H19N3O2/c1-2-11(16)14-9-10-4-7-15(8-5-10)12(17)3-6-13/h10H,2-5,7-9H2,1H3,(H,14,16)
InChIKeyPWZCOFDVJMSHHS-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.66
Rot. Bonds4

About N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide

N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide (PubChem CID 108922132) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
PubChem CID108922132
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
SMILESCCC(=O)NCC1CCN(C(=O)CC#N)CC1
InChIInChI=1S/C12H19N3O2/c1-2-11(16)14-9-10-4-7-15(8-5-10)12(17)3-6-13/h10H,2-5,7-9H2,1H3,(H,14,16)
InChIKeyPWZCOFDVJMSHHS-UHFFFAOYSA-N
XLogP0.66
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-methoxypropanamide
CID 108922134
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide
CID 108922290
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
CID 108922214
(E)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3,4,4-trimethylpent-2-enamide
CID 108922316
3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile
CID 62205964
3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile
CID 58641605
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108922052
2-cyano-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]acetamide
CID 108922287
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108922222
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide
CID 108922104
2-cyano-N-[[1-(3-cyclohexylpropanoyl)piperidin-4-yl]methyl]acetamide
CID 108922113
3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile
CID 43133331

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide (CID 108922132) is N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide is CCC(=O)NCC1CCN(C(=O)CC#N)CC1.
What is the InChIKey of N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is PWZCOFDVJMSHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-11(16)14-9-10-4-7-15(8-5-10)12(17)3-6-13/h10H,2-5,7-9H2,1H3,(H,14,16).
What are the key properties of N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide?
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 237.30 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 108922132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).