N-(5-cyanopiperidin-3-yl)formamide

C7H11N3O — CID 129073915

IUPACN-(5-cyanopiperidin-3-yl)formamide
SMILESN#CC1CNCC(NC=O)C1
InChIInChI=1S/C7H11N3O/c8-2-6-1-7(10-5-11)4-9-3-6/h5-7,9H,1,3-4H2,(H,10,11)
InChIKeyAEMDTCOJVKYVQT-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.77
Rot. Bonds2

About N-(5-cyanopiperidin-3-yl)formamide

N-(5-cyanopiperidin-3-yl)formamide (PubChem CID 129073915) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N-(5-cyanopiperidin-3-yl)formamide.

Molecular Properties

Compound NameN-(5-cyanopiperidin-3-yl)formamide
PubChem CID129073915
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN-(5-cyanopiperidin-3-yl)formamide
SMILESN#CC1CNCC(NC=O)C1
InChIInChI=1S/C7H11N3O/c8-2-6-1-7(10-5-11)4-9-3-6/h5-7,9H,1,3-4H2,(H,10,11)
InChIKeyAEMDTCOJVKYVQT-UHFFFAOYSA-N
XLogP-0.77
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyanopiperidin-3-yl)formamide?
The IUPAC name of N-(5-cyanopiperidin-3-yl)formamide (CID 129073915) is N-(5-cyanopiperidin-3-yl)formamide.
What is the SMILES notation for N-(5-cyanopiperidin-3-yl)formamide?
The canonical SMILES for N-(5-cyanopiperidin-3-yl)formamide is N#CC1CNCC(NC=O)C1.
What is the InChIKey of N-(5-cyanopiperidin-3-yl)formamide?
The InChIKey is AEMDTCOJVKYVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-2-6-1-7(10-5-11)4-9-3-6/h5-7,9H,1,3-4H2,(H,10,11).
What are the key properties of N-(5-cyanopiperidin-3-yl)formamide?
N-(5-cyanopiperidin-3-yl)formamide has a molecular weight of 153.18 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyanopiperidin-3-yl)formamide is sourced from PubChem (CID 129073915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).