1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide

C15H27N3O — CID 106710159

IUPAC1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CCCCC(C)(C)C#N)C1
InChIInChI=1S/C15H27N3O/c1-15(2,12-16)8-4-5-9-18-10-6-7-13(11-18)14(19)17-3/h13H,4-11H2,1-3H3,(H,17,19)
InChIKeyBOHBWWNNCRRNBC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.16
Rot. Bonds6

About 1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide

1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide (PubChem CID 106710159) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide
PubChem CID106710159
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CCCCC(C)(C)C#N)C1
InChIInChI=1S/C15H27N3O/c1-15(2,12-16)8-4-5-9-18-10-6-7-13(11-18)14(19)17-3/h13H,4-11H2,1-3H3,(H,17,19)
InChIKeyBOHBWWNNCRRNBC-UHFFFAOYSA-N
XLogP2.16
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate
CID 79421855
1-(4-cyano-4-methylpentyl)pyrrolidine-3-carboxylic acid
CID 65255418
2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid
CID 65256104
1-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 143767660
1-[2-(2-aminoethoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 103482277
2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile
CID 115300536
2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile
CID 65250985
1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide
CID 103198001
2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile
CID 106713395
2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile
CID 65254674
1-tert-butyl-N-methylpiperidine-3-carboxamide
CID 165376853
4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile
CID 107225980

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide (CID 106710159) is 1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(CCCCC(C)(C)C#N)C1.
What is the InChIKey of 1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is BOHBWWNNCRRNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(2,12-16)8-4-5-9-18-10-6-7-13(11-18)14(19)17-3/h13H,4-11H2,1-3H3,(H,17,19).
What are the key properties of 1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide?
1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 106710159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).