N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide

C14H25N3O — CID 62674909

IUPACN-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
SMILESCC(C)CN(CCC#N)C(=O)CC1CCCNC1
InChIInChI=1S/C14H25N3O/c1-12(2)11-17(8-4-6-15)14(18)9-13-5-3-7-16-10-13/h12-13,16H,3-5,7-11H2,1-2H3
InChIKeyHXJSUAIOIMKJMI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.77
Rot. Bonds6

About N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide

N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide (PubChem CID 62674909) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
PubChem CID62674909
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
SMILESCC(C)CN(CCC#N)C(=O)CC1CCCNC1
InChIInChI=1S/C14H25N3O/c1-12(2)11-17(8-4-6-15)14(18)9-13-5-3-7-16-10-13/h12-13,16H,3-5,7-11H2,1-2H3
InChIKeyHXJSUAIOIMKJMI-UHFFFAOYSA-N
XLogP1.77
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
CID 62690193
N,N-bis(cyanomethyl)-2-piperidin-3-ylacetamide
CID 62675226
3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile
CID 80554495
2-cyclopentyl-N,N-bis(2-methylpropyl)acetamide
CID 78797313
(2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93375201
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591
2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid
CID 63645070
(3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 81123881
2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid
CID 62675285
N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide
CID 62735321
N,N-bis(2-methylpropyl)piperidine-3-carboxamide
CID 43588735
N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 63131514

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide (CID 62674909) is N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide is CC(C)CN(CCC#N)C(=O)CC1CCCNC1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide?
The InChIKey is HXJSUAIOIMKJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(2)11-17(8-4-6-15)14(18)9-13-5-3-7-16-10-13/h12-13,16H,3-5,7-11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide?
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide has a molecular weight of 251.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide is sourced from PubChem (CID 62674909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).