N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide

C15H27N3O3 — CID 107162390

IUPACN'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide
SMILESCC1(C(N)=NO)CCN(C(=O)CCC2CCCCO2)CC1
InChIInChI=1S/C15H27N3O3/c1-15(14(16)17-20)7-9-18(10-8-15)13(19)6-5-12-4-2-3-11-21-12/h12,20H,2-11H2,1H3,(H2,16,17)
InChIKeyYTNIUFZQWCFULK-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.71
Rot. Bonds4

About N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide

N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide (PubChem CID 107162390) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide
PubChem CID107162390
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide
SMILESCC1(C(N)=NO)CCN(C(=O)CCC2CCCCO2)CC1
InChIInChI=1S/C15H27N3O3/c1-15(14(16)17-20)7-9-18(10-8-15)13(19)6-5-12-4-2-3-11-21-12/h12,20H,2-11H2,1H3,(H2,16,17)
InChIKeyYTNIUFZQWCFULK-UHFFFAOYSA-N
XLogP1.71
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
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

N'-hydroxy-4-methylsulfanyl-1-[3-(oxolan-2-yl)propanoyl]piperidine-4-carboximidamide
CID 77108607
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 80707454
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride
CID 120815683
1-[4-(chloromethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 63951405
N'-hydroxy-4-methyl-1-(2-methylsulfanylacetyl)piperidine-4-carboximidamide
CID 107162505
1-(4-bromopiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 80661560
N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide
CID 107162353
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one;hydrochloride
CID 119518131
1-(3-chloro-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 102961397
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 114778648
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 114781501

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide (CID 107162390) is N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide is CC1(C(N)=NO)CCN(C(=O)CCC2CCCCO2)CC1.
What is the InChIKey of N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide?
The InChIKey is YTNIUFZQWCFULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(14(16)17-20)7-9-18(10-8-15)13(19)6-5-12-4-2-3-11-21-12/h12,20H,2-11H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide?
N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide has a molecular weight of 297.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide is sourced from PubChem (CID 107162390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).