1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide

C13H24N4O2 — CID 55037776

IUPAC1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide
SMILESCN1CCCC(NC(=O)C2(/C(N)=N/O)CCCC2)C1
InChIInChI=1S/C13H24N4O2/c1-17-8-4-5-10(9-17)15-12(18)13(11(14)16-19)6-2-3-7-13/h10,19H,2-9H2,1H3,(H2,14,16)(H,15,18)
InChIKeyWUZKTUVRFSPJLP-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.50
Rot. Bonds3

About 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide

1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide (PubChem CID 55037776) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide
PubChem CID55037776
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide
SMILESCN1CCCC(NC(=O)C2(/C(N)=N/O)CCCC2)C1
InChIInChI=1S/C13H24N4O2/c1-17-8-4-5-10(9-17)15-12(18)13(11(14)16-19)6-2-3-7-13/h10,19H,2-9H2,1H3,(H2,14,16)(H,15,18)
InChIKeyWUZKTUVRFSPJLP-UHFFFAOYSA-N
XLogP0.50
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide (CID 55037776) is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide is CN1CCCC(NC(=O)C2(/C(N)=N/O)CCCC2)C1.
What is the InChIKey of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide?
The InChIKey is WUZKTUVRFSPJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-17-8-4-5-10(9-17)15-12(18)13(11(14)16-19)6-2-3-7-13/h10,19H,2-9H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide?
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55037776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).