N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide

C12H22N4O2 — CID 79155291

IUPACN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide
SMILESNC(=NO)C1CCCC1NC(=O)N1CCCCC1
InChIInChI=1S/C12H22N4O2/c13-11(15-18)9-5-4-6-10(9)14-12(17)16-7-2-1-3-8-16/h9-10,18H,1-8H2,(H2,13,15)(H,14,17)
InChIKeyBZTKPEAIZBIMBW-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.10
Rot. Bonds2

About N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide (PubChem CID 79155291) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide
PubChem CID79155291
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide
SMILESNC(=NO)C1CCCC1NC(=O)N1CCCCC1
InChIInChI=1S/C12H22N4O2/c13-11(15-18)9-5-4-6-10(9)14-12(17)16-7-2-1-3-8-16/h9-10,18H,1-8H2,(H2,13,15)(H,14,17)
InChIKeyBZTKPEAIZBIMBW-UHFFFAOYSA-N
XLogP1.10
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79161257
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide
CID 79163497
N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide
CID 79154927
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
[2-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]carbamic acid
CID 138597727
N-[2-(aminomethyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79162307
N-(2-methylcycloheptyl)piperidine-1-carboxamide
CID 115665269
2-cyclopropyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
CID 76978603
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide
CID 77015707
N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide
CID 40530963
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide
CID 76978522

Frequently Asked Questions

What is the IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide (CID 79155291) is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide is NC(=NO)C1CCCC1NC(=O)N1CCCCC1.
What is the InChIKey of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide?
The InChIKey is BZTKPEAIZBIMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c13-11(15-18)9-5-4-6-10(9)14-12(17)16-7-2-1-3-8-16/h9-10,18H,1-8H2,(H2,13,15)(H,14,17).
What are the key properties of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide?
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide is sourced from PubChem (CID 79155291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).