N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide

C13H24N4O2 — CID 79163497

IUPACN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2CCCC2C(N)=NO)CC1
InChIInChI=1S/C13H24N4O2/c1-9-5-7-17(8-6-9)13(18)15-11-4-2-3-10(11)12(14)16-19/h9-11,19H,2-8H2,1H3,(H2,14,16)(H,15,18)
InChIKeyMZPXXSYEMGIPDL-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.34
Rot. Bonds2

About N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide (PubChem CID 79163497) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide
PubChem CID79163497
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2CCCC2C(N)=NO)CC1
InChIInChI=1S/C13H24N4O2/c1-9-5-7-17(8-6-9)13(18)15-11-4-2-3-10(11)12(14)16-19/h9-11,19H,2-8H2,1H3,(H2,14,16)(H,15,18)
InChIKeyMZPXXSYEMGIPDL-UHFFFAOYSA-N
XLogP1.34
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.34
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]piperidine-1-carboxamide
CID 79155291
N-[2-(hydroxymethyl)cyclopentyl]-4-methylpiperidine-1-carboxamide
CID 106360522
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
2-[(4-tert-butylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64817139
N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide
CID 79154927
[2-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]carbamic acid
CID 138597727
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide
CID 77015707
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylbutanamide
CID 76978522
2-cyclopropyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
CID 76978603
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylsulfonylacetamide
CID 77015041

Frequently Asked Questions

What is the IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide (CID 79163497) is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NC2CCCC2C(N)=NO)CC1.
What is the InChIKey of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is MZPXXSYEMGIPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9-5-7-17(8-6-9)13(18)15-11-4-2-3-10(11)12(14)16-19/h9-11,19H,2-8H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide?
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.34, 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]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79163497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).