N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide

C11H16N4O — CID 62675226

IUPACN,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide
SMILESN#CCN(CC#N)C(=O)CC1CCCNC1
InChIInChI=1S/C11H16N4O/c12-3-6-15(7-4-13)11(16)8-10-2-1-5-14-9-10/h10,14H,1-2,5-9H2
InChIKeyQCXUMFMCYVCGMD-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.25
Rot. Bonds4

About N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide

N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide (PubChem CID 62675226) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide
PubChem CID62675226
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide
SMILESN#CCN(CC#N)C(=O)CC1CCCNC1
InChIInChI=1S/C11H16N4O/c12-3-6-15(7-4-13)11(16)8-10-2-1-5-14-9-10/h10,14H,1-2,5-9H2
InChIKeyQCXUMFMCYVCGMD-UHFFFAOYSA-N
XLogP0.25
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid
CID 63645070
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
CID 62674909
N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide
CID 66433370
2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid
CID 62675285
N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide
CID 61381682
2-(dimethylamino)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106627954
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-piperidin-3-ylacetamide
CID 62690375
S-methyl 2-piperidin-3-ylethanethioate
CID 117125822
N-methyl-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
CID 62690193
N-(2-methoxyethyl)-2-piperidin-3-yl-N-prop-2-enylacetamide
CID 103338928
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-piperidin-3-ylacetamide
CID 79380167
N-oxo-2-piperidin-3-ylacetamide
CID 163768787

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide?
The IUPAC name of N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide (CID 62675226) is N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide?
The canonical SMILES for N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide is N#CCN(CC#N)C(=O)CC1CCCNC1.
What is the InChIKey of N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide?
The InChIKey is QCXUMFMCYVCGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-3-6-15(7-4-13)11(16)8-10-2-1-5-14-9-10/h10,14H,1-2,5-9H2.
What are the key properties of N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide?
N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide has a molecular weight of 220.28 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide is sourced from PubChem (CID 62675226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).