1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide

C8H13N3O2 — CID 130535820

IUPAC1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide
SMILESN#CCN1CCCC(O)(C(N)=O)C1
InChIInChI=1S/C8H13N3O2/c9-3-5-11-4-1-2-8(13,6-11)7(10)12/h13H,1-2,4-6H2,(H2,10,12)
InChIKeyYGVWHKNNTHAIMM-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.18
Rot. Bonds2

About 1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide

1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide (PubChem CID 130535820) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide
PubChem CID130535820
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide
SMILESN#CCN1CCCC(O)(C(N)=O)C1
InChIInChI=1S/C8H13N3O2/c9-3-5-11-4-1-2-8(13,6-11)7(10)12/h13H,1-2,4-6H2,(H2,10,12)
InChIKeyYGVWHKNNTHAIMM-UHFFFAOYSA-N
XLogP-1.18
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide (CID 130535820) is 1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide is N#CCN1CCCC(O)(C(N)=O)C1.
What is the InChIKey of 1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide?
The InChIKey is YGVWHKNNTHAIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-3-5-11-4-1-2-8(13,6-11)7(10)12/h13H,1-2,4-6H2,(H2,10,12).
What are the key properties of 1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide?
1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 130535820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).