N-(cyanomethyl)-2-methylpiperidine-4-carboxamide

C9H15N3O — CID 106739785

IUPACN-(cyanomethyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)NCC#N)CCN1
InChIInChI=1S/C9H15N3O/c1-7-6-8(2-4-11-7)9(13)12-5-3-10/h7-8,11H,2,4-6H2,1H3,(H,12,13)
InChIKeyFIQFCSDAWKKWDD-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.01
Rot. Bonds2

About N-(cyanomethyl)-2-methylpiperidine-4-carboxamide

N-(cyanomethyl)-2-methylpiperidine-4-carboxamide (PubChem CID 106739785) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(cyanomethyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-methylpiperidine-4-carboxamide
PubChem CID106739785
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(cyanomethyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)NCC#N)CCN1
InChIInChI=1S/C9H15N3O/c1-7-6-8(2-4-11-7)9(13)12-5-3-10/h7-8,11H,2,4-6H2,1H3,(H,12,13)
InChIKeyFIQFCSDAWKKWDD-UHFFFAOYSA-N
XLogP0.01
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005211
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
N-(cyanomethyl)-3-methylcyclohexane-1-carboxamide
CID 130747164
methyl 2,2-dimethyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120633673
3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide
CID 66009213
2-methyl-N-[2-(4-methylcyclohexyl)ethyl]piperidine-4-carboxamide
CID 106740120
N-[(1-ethylcyclopropyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106832188
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide
CID 106832156
N-(3-hydroxy-4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 106832212

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-2-methylpiperidine-4-carboxamide (CID 106739785) is N-(cyanomethyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)NCC#N)CCN1.
What is the InChIKey of N-(cyanomethyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is FIQFCSDAWKKWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-6-8(2-4-11-7)9(13)12-5-3-10/h7-8,11H,2,4-6H2,1H3,(H,12,13).
What are the key properties of N-(cyanomethyl)-2-methylpiperidine-4-carboxamide?
N-(cyanomethyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106739785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).