N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide

C16H21N3O2 — CID 63875533

IUPACN-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide
SMILESN#CCN(Cc1ccccc1)C(=O)COC1CCNCC1
InChIInChI=1S/C16H21N3O2/c17-8-11-19(12-14-4-2-1-3-5-14)16(20)13-21-15-6-9-18-10-7-15/h1-5,15,18H,6-7,9-13H2
InChIKeyLHZYTCVCVFUNAH-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.31
Rot. Bonds6

About N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide

N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide (PubChem CID 63875533) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide
PubChem CID63875533
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide
SMILESN#CCN(Cc1ccccc1)C(=O)COC1CCNCC1
InChIInChI=1S/C16H21N3O2/c17-8-11-19(12-14-4-2-1-3-5-14)16(20)13-21-15-6-9-18-10-7-15/h1-5,15,18H,6-7,9-13H2
InChIKeyLHZYTCVCVFUNAH-UHFFFAOYSA-N
XLogP1.31
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.31
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

N-benzyl-N-(cyanomethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627134
N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005731
N-ethyl-N-[(3-methylphenyl)methyl]-2-piperidin-4-yloxyacetamide
CID 63876380
N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide
CID 61035902
N,N-dibenzyl-2-piperidin-4-ylacetamide
CID 119669950
N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide
CID 66429565
4-[benzyl(cyanomethyl)amino]-4-oxobutanoic acid
CID 54916538
N-(2-phenylethyl)-2-piperidin-4-yloxyacetamide
CID 63877044
N-[(4-chlorophenyl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 63877600
N-benzyl-N-methyl-2-piperidin-4-yloxyethanamine
CID 63903578
2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide
CID 116676863
N-methyl-N-[(2-methylphenyl)methyl]-2-piperidin-4-yloxyacetamide
CID 63875501

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide?
The IUPAC name of N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide (CID 63875533) is N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide.
What is the SMILES notation for N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide?
The canonical SMILES for N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide is N#CCN(Cc1ccccc1)C(=O)COC1CCNCC1.
What is the InChIKey of N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide?
The InChIKey is LHZYTCVCVFUNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-8-11-19(12-14-4-2-1-3-5-14)16(20)13-21-15-6-9-18-10-7-15/h1-5,15,18H,6-7,9-13H2.
What are the key properties of N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide?
N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide has a molecular weight of 287.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide is sourced from PubChem (CID 63875533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).