(2S)-N-cyanopiperidine-2-carboxamide

C7H11N3O — CID 104914224

IUPAC(2S)-N-cyanopiperidine-2-carboxamide
SMILESN#CNC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C7H11N3O/c8-5-10-7(11)6-3-1-2-4-9-6/h6,9H,1-4H2,(H,10,11)/t6-/m0/s1
InChIKeyVVYWMLOOWCWUOQ-LURJTMIESA-N
MW153.18 g/mol
LogP-0.27
Rot. Bonds1

About (2S)-N-cyanopiperidine-2-carboxamide

(2S)-N-cyanopiperidine-2-carboxamide (PubChem CID 104914224) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is (2S)-N-cyanopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyanopiperidine-2-carboxamide
PubChem CID104914224
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name(2S)-N-cyanopiperidine-2-carboxamide
SMILESN#CNC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C7H11N3O/c8-5-10-7(11)6-3-1-2-4-9-6/h6,9H,1-4H2,(H,10,11)/t6-/m0/s1
InChIKeyVVYWMLOOWCWUOQ-LURJTMIESA-N
XLogP-0.27
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)azocane-2-carboxamide
CID 130491299
azepane-2-carbohydrazide
CID 64570757
N-cyclopentylazepane-2-carboxamide
CID 64564743
bis[(2S)-piperidin-2-yl]methanone
CID 174971247
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
N-cyanocyclooctanecarboxamide
CID 79194342
N-(2,3-dihydroxypropyl)piperidine-2-carboxamide
CID 66170810
(2R)-N-(dicyclopropylmethyl)piperidine-2-carboxamide
CID 103808363
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide
CID 107852747

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyanopiperidine-2-carboxamide?
The IUPAC name of (2S)-N-cyanopiperidine-2-carboxamide (CID 104914224) is (2S)-N-cyanopiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyanopiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyanopiperidine-2-carboxamide is N#CNC(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-cyanopiperidine-2-carboxamide?
The InChIKey is VVYWMLOOWCWUOQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H11N3O/c8-5-10-7(11)6-3-1-2-4-9-6/h6,9H,1-4H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-N-cyanopiperidine-2-carboxamide?
(2S)-N-cyanopiperidine-2-carboxamide has a molecular weight of 153.18 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyanopiperidine-2-carboxamide is sourced from PubChem (CID 104914224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).