N-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide

C10H17N3O — CID 871383

IUPACN-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide
SMILESCN1CCC(=NNC(=O)C2CC2)CC1
InChIInChI=1S/C10H17N3O/c1-13-6-4-9(5-7-13)11-12-10(14)8-2-3-8/h8H,2-7H2,1H3,(H,12,14)
InChIKeySPESFRFIHAKXOK-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.59
Rot. Bonds2

About N-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide

N-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide (PubChem CID 871383) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide
PubChem CID871383
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide
SMILESCN1CCC(=NNC(=O)C2CC2)CC1
InChIInChI=1S/C10H17N3O/c1-13-6-4-9(5-7-13)11-12-10(14)8-2-3-8/h8H,2-7H2,1H3,(H,12,14)
InChIKeySPESFRFIHAKXOK-UHFFFAOYSA-N
XLogP0.59
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide?
The IUPAC name of N-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide (CID 871383) is N-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide?
The canonical SMILES for N-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide is CN1CCC(=NNC(=O)C2CC2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide?
The InChIKey is SPESFRFIHAKXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-6-4-9(5-7-13)11-12-10(14)8-2-3-8/h8H,2-7H2,1H3,(H,12,14).
What are the key properties of N-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide?
N-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide has a molecular weight of 195.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-ylidene)amino]cyclopropanecarboxamide is sourced from PubChem (CID 871383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).