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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(N'-hydroxycarbamimidoyl)cyclobutanecarbonyl]-6-methylpiperidine-3-carboxamide
CID 80597477
1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxamide
CID 80597551
1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76939914
N'-hydroxy-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)cyclopropane-1-carboximidamide
CID 80594653
1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 55039947
1-[1-(N'-hydroxycarbamimidoyl)cyclohexanecarbonyl]piperidine-2-carboxamide
CID 76921367
1-(2,6-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 77020584
N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide
CID 104937510
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
1-(3-ethylpiperidine-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 63131944
N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 83046091

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).