N,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide

C22H24N3O2- — CID 91559934

IUPACN,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide
SMILESCNC(=O)C1CCN(C)CC1.C[CH-]C#CC#CC#CC#CC#CC(=O)NC
InChIInChI=1S/C14H8NO.C8H16N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15-2;1-9-8(11)7-3-5-10(2)6-4-7/h3H,1-2H3,(H,15,16);7H,3-6H2,1-2H3,(H,9,11)/q-1;
InChIKeyCIMDMVTVQLQWQO-UHFFFAOYSA-N
MW362.45 g/mol
LogP0.05
Rot. Bonds1

About N,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide

N,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide (PubChem CID 91559934) has the molecular formula C22H24N3O2- and a molecular weight of 362.45 g/mol. Its IUPAC name is N,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide.

Molecular Properties

Compound NameN,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide
PubChem CID91559934
Molecular FormulaC22H24N3O2-
Molecular Weight362.45 g/mol
Exact Mass362.19
IUPAC NameN,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide
SMILESCNC(=O)C1CCN(C)CC1.C[CH-]C#CC#CC#CC#CC#CC(=O)NC
InChIInChI=1S/C14H8NO.C8H16N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15-2;1-9-8(11)7-3-5-10(2)6-4-7/h3H,1-2H3,(H,15,16);7H,3-6H2,1-2H3,(H,9,11)/q-1;
InChIKeyCIMDMVTVQLQWQO-UHFFFAOYSA-N
XLogP0.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 166167704
N-methyl-1-sulfanylpiperidine-4-carboxamide
CID 88912319
1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
CID 130917589
1-methyl-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 115277550
1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide
CID 55136373
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
ethane;1-methylpiperidine-4-carbothioic S-acid
CID 142071667
ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide
CID 177054985
ethane;1-(2-methoxyethyl)-N-methylpiperidine-4-carboxamide
CID 143678079
[(1-methylpiperidine-4-carbonyl)amino]thiourea
CID 45097493

Frequently Asked Questions

What is the IUPAC name of N,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide?
The IUPAC name of N,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide (CID 91559934) is N,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide.
What is the SMILES notation for N,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide?
The canonical SMILES for N,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide is CNC(=O)C1CCN(C)CC1.C[CH-]C#CC#CC#CC#CC#CC(=O)NC.
What is the InChIKey of N,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide?
The InChIKey is CIMDMVTVQLQWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8NO.C8H16N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15-2;1-9-8(11)7-3-5-10(2)6-4-7/h3H,1-2H3,(H,15,16);7H,3-6H2,1-2H3,(H,9,11)/q-1;.
What are the key properties of N,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide?
N,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide has a molecular weight of 362.45 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpiperidine-4-carboxamide;N-methyltrideca-2,4,6,8,10-pentaynamide is sourced from PubChem (CID 91559934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).