1-methanidylpiperidine-3-carboxamide

C7H13N2O- — CID 23545608

IUPAC1-methanidylpiperidine-3-carboxamide
SMILES[CH2-]N1CCCC(C(N)=O)C1
InChIInChI=1S/C7H13N2O/c1-9-4-2-3-6(5-9)7(8)10/h6H,1-5H2,(H2,8,10)/q-1
InChIKeyOEVUSCNIAHDVAX-UHFFFAOYSA-N
MW141.19 g/mol
LogP-0.02
Rot. Bonds1

About 1-methanidylpiperidine-3-carboxamide

1-methanidylpiperidine-3-carboxamide (PubChem CID 23545608) has the molecular formula C7H13N2O- and a molecular weight of 141.19 g/mol. Its IUPAC name is 1-methanidylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-methanidylpiperidine-3-carboxamide
PubChem CID23545608
Molecular FormulaC7H13N2O-
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name1-methanidylpiperidine-3-carboxamide
SMILES[CH2-]N1CCCC(C(N)=O)C1
InChIInChI=1S/C7H13N2O/c1-9-4-2-3-6(5-9)7(8)10/h6H,1-5H2,(H2,8,10)/q-1
InChIKeyOEVUSCNIAHDVAX-UHFFFAOYSA-N
XLogP-0.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 88930738
CID 88930738
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
1-sulfamoylpiperidine-3-carboxamide
CID 43132049
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
1-aminophosphanylpiperidine-3-carboxamide;methane
CID 142847668
1-tert-butylpiperidine-3-carboxamide
CID 59656300
1-[(E)-C-aminocarbonohydrazonoyl]piperidine-3-carboxamide
CID 126972262
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 47149029
2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid
CID 65443827
1-(2-chloroethyl)piperidine-3-carboxamide
CID 61287310
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268

Frequently Asked Questions

What is the IUPAC name of 1-methanidylpiperidine-3-carboxamide?
The IUPAC name of 1-methanidylpiperidine-3-carboxamide (CID 23545608) is 1-methanidylpiperidine-3-carboxamide.
What is the SMILES notation for 1-methanidylpiperidine-3-carboxamide?
The canonical SMILES for 1-methanidylpiperidine-3-carboxamide is [CH2-]N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-methanidylpiperidine-3-carboxamide?
The InChIKey is OEVUSCNIAHDVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2O/c1-9-4-2-3-6(5-9)7(8)10/h6H,1-5H2,(H2,8,10)/q-1.
What are the key properties of 1-methanidylpiperidine-3-carboxamide?
1-methanidylpiperidine-3-carboxamide has a molecular weight of 141.19 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidylpiperidine-3-carboxamide is sourced from PubChem (CID 23545608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).