N-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide

C16H30N4O — CID 79159064

IUPACN-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)C1(NC(=O)N2CCCC(C)C2)CCCCCCC1
InChIInChI=1S/C16H30N4O/c1-13-8-7-11-20(12-13)15(21)19-16(14(17)18)9-5-3-2-4-6-10-16/h13H,2-12H2,1H3,(H3,17,18)(H,19,21)
InChIKeySGKRJMYSTJXUHW-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.85
Rot. Bonds2

About N-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide

N-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide (PubChem CID 79159064) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide
PubChem CID79159064
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)C1(NC(=O)N2CCCC(C)C2)CCCCCCC1
InChIInChI=1S/C16H30N4O/c1-13-8-7-11-20(12-13)15(21)19-16(14(17)18)9-5-3-2-4-6-10-16/h13H,2-12H2,1H3,(H3,17,18)(H,19,21)
InChIKeySGKRJMYSTJXUHW-UHFFFAOYSA-N
XLogP2.85
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-carbamimidoylcyclopentyl)azepane-1-carboxamide
CID 79151863
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide
CID 79158410
N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboxamide
CID 79159286
N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide
CID 79163065
1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161145
1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61190558
N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide
CID 79163603
N-(1-adamantyl)-3-methylpiperidine-1-carboxamide
CID 5141458
3-methylpiperidine-1-carboxamide
CID 16786142
1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 61408559
N-(1-carbamothioylcyclohexyl)pyrrolidine-1-carboxamide
CID 79161728

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide (CID 79159064) is N-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide is [H]/N=C(\N)C1(NC(=O)N2CCCC(C)C2)CCCCCCC1.
What is the InChIKey of N-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is SGKRJMYSTJXUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-13-8-7-11-20(12-13)15(21)19-16(14(17)18)9-5-3-2-4-6-10-16/h13H,2-12H2,1H3,(H3,17,18)(H,19,21).
What are the key properties of N-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide?
N-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.85, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79159064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).