2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide

C13H26N4O2 — CID 76925702

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide
SMILESCCCC(C(=O)NCCN1CCCCC1)C(N)=NO
InChIInChI=1S/C13H26N4O2/c1-2-6-11(12(14)16-19)13(18)15-7-10-17-8-4-3-5-9-17/h11,19H,2-10H2,1H3,(H2,14,16)(H,15,18)
InChIKeyCIUTXNJNFPUXHL-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.75
Rot. Bonds7

About 2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide

2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide (PubChem CID 76925702) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide
PubChem CID76925702
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide
SMILESCCCC(C(=O)NCCN1CCCCC1)C(N)=NO
InChIInChI=1S/C13H26N4O2/c1-2-6-11(12(14)16-19)13(18)15-7-10-17-8-4-3-5-9-17/h11,19H,2-10H2,1H3,(H2,14,16)(H,15,18)
InChIKeyCIUTXNJNFPUXHL-UHFFFAOYSA-N
XLogP0.75
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.75
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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Related Compounds

2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide
CID 76925048
2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide
CID 76926499
2-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfonylethyl)pentanamide
CID 76926405
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide
CID 76924802
3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 76980068
(2Z)-2-hydroxyimino-N-(2-piperidin-1-ylethyl)propanamide
CID 6401184
N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926351
2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 76924102
(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 105419941

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide (CID 76925702) is 2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide is CCCC(C(=O)NCCN1CCCCC1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide?
The InChIKey is CIUTXNJNFPUXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-2-6-11(12(14)16-19)13(18)15-7-10-17-8-4-3-5-9-17/h11,19H,2-10H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide?
2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide has a molecular weight of 270.38 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide is sourced from PubChem (CID 76925702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).