1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide

C15H27N3O2 — CID 104928900

IUPAC1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)CC2CCCCCC2)C1
InChIInChI=1S/C15H27N3O2/c16-15(17-20)13-8-5-9-18(11-13)14(19)10-12-6-3-1-2-4-7-12/h12-13,20H,1-11H2,(H2,16,17)
InChIKeyRMOANGAFBKGHNT-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.33
Rot. Bonds3

About 1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide

1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 104928900) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID104928900
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(C(=O)CC2CCCCCC2)C1
InChIInChI=1S/C15H27N3O2/c16-15(17-20)13-8-5-9-18(11-13)14(19)10-12-6-3-1-2-4-7-12/h12-13,20H,1-11H2,(H2,16,17)
InChIKeyRMOANGAFBKGHNT-UHFFFAOYSA-N
XLogP2.33
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
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

1-(2-cyclobutylacetyl)piperidine-3-carbothioamide
CID 103163717
1-(3-bromopiperidin-1-yl)-2-cyclohexylethanone
CID 80661364
N'-hydroxy-1-(piperidine-1-carbonyl)piperidine-3-carboximidamide
CID 79156002
methyl (3S)-1-(2-cyclopentylacetyl)piperidine-3-carboxylate
CID 78919382
1-(2-cyclopentylacetyl)-N-cyclopropylpiperidine-3-carboxamide
CID 71935025
(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide
CID 172908529
1-(3-ethoxypropanoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041945
N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119260266
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 79162286
1-(2-ethylbutanoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041256

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide (CID 104928900) is 1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide is NC(=NO)C1CCCN(C(=O)CC2CCCCCC2)C1.
What is the InChIKey of 1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is RMOANGAFBKGHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-15(17-20)13-8-5-9-18(11-13)14(19)10-12-6-3-1-2-4-7-12/h12-13,20H,1-11H2,(H2,16,17).
What are the key properties of 1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 281.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 104928900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).