N-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide

C12H21N3O2 — CID 63876568

IUPACN-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide
SMILESCC(C#N)CN(C)C(=O)COC1CCNCC1
InChIInChI=1S/C12H21N3O2/c1-10(7-13)8-15(2)12(16)9-17-11-3-5-14-6-4-11/h10-11,14H,3-6,8-9H2,1-2H3
InChIKeyXRJGVPQETRDYAW-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.37
Rot. Bonds5

About N-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide

N-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide (PubChem CID 63876568) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide
PubChem CID63876568
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide
SMILESCC(C#N)CN(C)C(=O)COC1CCNCC1
InChIInChI=1S/C12H21N3O2/c1-10(7-13)8-15(2)12(16)9-17-11-3-5-14-6-4-11/h10-11,14H,3-6,8-9H2,1-2H3
InChIKeyXRJGVPQETRDYAW-UHFFFAOYSA-N
XLogP0.37
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-methylbutyl)-2-piperidin-4-yloxyacetamide
CID 63876878
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-piperidin-4-yloxyacetamide
CID 55252350
N-(cyclopentylmethyl)-N-methyl-2-piperidin-4-yloxyacetamide
CID 63876248
N,N-dimethyl-2-piperidin-4-yloxyacetamide
CID 43346284
N-methyl-N-(oxan-4-ylmethyl)-2-piperidin-4-yloxyacetamide
CID 63876942
methyl 2-[methyl-(2-piperidin-4-yloxyacetyl)amino]acetate
CID 55250902
N-(1-methoxypropan-2-yl)-N-methyl-2-piperidin-4-yloxyacetamide
CID 63876735
N-ethyl-2-[methyl-(2-piperidin-4-yloxyacetyl)amino]acetamide
CID 63876044
N-ethyl-N-methyl-2-pyrrolidin-3-yloxyacetamide
CID 62327910
N-methyl-N-(oxan-4-yl)-2-piperidin-4-yloxyacetamide
CID 63874984
N-methyl-N-(oxan-3-ylmethyl)-2-piperidin-4-yloxyacetamide
CID 63876941
N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-yloxyacetamide
CID 82946008

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide?
The IUPAC name of N-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide (CID 63876568) is N-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide is CC(C#N)CN(C)C(=O)COC1CCNCC1.
What is the InChIKey of N-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide?
The InChIKey is XRJGVPQETRDYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(7-13)8-15(2)12(16)9-17-11-3-5-14-6-4-11/h10-11,14H,3-6,8-9H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide?
N-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide has a molecular weight of 239.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide is sourced from PubChem (CID 63876568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).