1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide

C12H20N4O3 — CID 80597551

IUPAC1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)C1(C(N)=NO)CC1
InChIInChI=1S/C12H20N4O3/c1-7-2-3-8(9(13)17)6-16(7)11(18)12(4-5-12)10(14)15-19/h7-8,19H,2-6H2,1H3,(H2,13,17)(H2,14,15)
InChIKeyGMJVAONUOGPTDO-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.37
Rot. Bonds3

About 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide

1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide (PubChem CID 80597551) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide
PubChem CID80597551
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)C1(C(N)=NO)CC1
InChIInChI=1S/C12H20N4O3/c1-7-2-3-8(9(13)17)6-16(7)11(18)12(4-5-12)10(14)15-19/h7-8,19H,2-6H2,1H3,(H2,13,17)(H2,14,15)
InChIKeyGMJVAONUOGPTDO-UHFFFAOYSA-N
XLogP-0.37
TPSA122.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.37
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-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide (CID 80597551) is 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)C1(C(N)=NO)CC1.
What is the InChIKey of 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is GMJVAONUOGPTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-7-2-3-8(9(13)17)6-16(7)11(18)12(4-5-12)10(14)15-19/h7-8,19H,2-6H2,1H3,(H2,13,17)(H2,14,15).
What are the key properties of 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide?
1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 80597551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).