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

C14H24N4O3 — CID 76921739

IUPAC1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C14H24N4O3/c1-9-4-5-10(11(15)19)8-18(9)13(20)14(12(16)17-21)6-2-3-7-14/h9-10,21H,2-8H2,1H3,(H2,15,19)(H2,16,17)
InChIKeyYHRUMKFHKQHVMV-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.41
Rot. Bonds3

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

1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide (PubChem CID 76921739) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide
PubChem CID76921739
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C14H24N4O3/c1-9-4-5-10(11(15)19)8-18(9)13(20)14(12(16)17-21)6-2-3-7-14/h9-10,21H,2-8H2,1H3,(H2,15,19)(H2,16,17)
InChIKeyYHRUMKFHKQHVMV-UHFFFAOYSA-N
XLogP0.41
TPSA122.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.41
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)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide (CID 76921739) is 1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)C1(C(N)=NO)CCCC1.
What is the InChIKey of 1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is YHRUMKFHKQHVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-9-4-5-10(11(15)19)8-18(9)13(20)14(12(16)17-21)6-2-3-7-14/h9-10,21H,2-8H2,1H3,(H2,15,19)(H2,16,17).
What are the key properties of 1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide?
1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 0.41, 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)cyclopentanecarbonyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 76921739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).