N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide

C13H20N4O — CID 104596505

IUPACN,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)N(CCC#N)CCC#N)CCCCN1
InChIInChI=1S/C13H20N4O/c1-13(6-2-3-9-16-13)12(18)17(10-4-7-14)11-5-8-15/h16H,2-6,9-11H2,1H3
InChIKeyAMYTVKCNYLQQPA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.17
Rot. Bonds5

About N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide

N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide (PubChem CID 104596505) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide
PubChem CID104596505
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)N(CCC#N)CCC#N)CCCCN1
InChIInChI=1S/C13H20N4O/c1-13(6-2-3-9-16-13)12(18)17(10-4-7-14)11-5-8-15/h16H,2-6,9-11H2,1H3
InChIKeyAMYTVKCNYLQQPA-UHFFFAOYSA-N
XLogP1.17
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpiperidine-2-carboxamide
CID 113467728
2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid
CID 104596700
N-ethyl-2-methyl-N-(2-methylbutyl)piperidine-2-carboxamide
CID 113368651
N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide
CID 104597142
N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide
CID 104596127
N-(5-hydroxypentyl)-N,2-dimethylpiperidine-2-carboxamide
CID 107199154
N-cyclopentyl-N-(2-hydroxyethyl)-2-methylpiperidine-2-carboxamide
CID 113430794
N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpiperidine-2-carboxamide
CID 104596688
N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 102861862
N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylpiperidine-2-carboxamide
CID 104596944
N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 104596442
1-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 63286552

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide (CID 104596505) is N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide is CC1(C(=O)N(CCC#N)CCC#N)CCCCN1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide?
The InChIKey is AMYTVKCNYLQQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-13(6-2-3-9-16-13)12(18)17(10-4-7-14)11-5-8-15/h16H,2-6,9-11H2,1H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide?
N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).