1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide

C16H29N3O2 — CID 77016550

IUPAC1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide
SMILESCC1(C)CCCN(C(=O)C2(C(N)=NO)CCCCCC2)C1
InChIInChI=1S/C16H29N3O2/c1-15(2)8-7-11-19(12-15)14(20)16(13(17)18-21)9-5-3-4-6-10-16/h21H,3-12H2,1-2H3,(H2,17,18)
InChIKeyHCYJDIKPDBNMGN-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.72
Rot. Bonds2

About 1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide

1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide (PubChem CID 77016550) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide.

Molecular Properties

Compound Name1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide
PubChem CID77016550
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide
SMILESCC1(C)CCCN(C(=O)C2(C(N)=NO)CCCCCC2)C1
InChIInChI=1S/C16H29N3O2/c1-15(2)8-7-11-19(12-15)14(20)16(13(17)18-21)9-5-3-4-6-10-16/h21H,3-12H2,1-2H3,(H2,17,18)
InChIKeyHCYJDIKPDBNMGN-UHFFFAOYSA-N
XLogP2.72
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide?
The IUPAC name of 1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide (CID 77016550) is 1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide.
What is the SMILES notation for 1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide?
The canonical SMILES for 1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide is CC1(C)CCCN(C(=O)C2(C(N)=NO)CCCCCC2)C1.
What is the InChIKey of 1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide?
The InChIKey is HCYJDIKPDBNMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-15(2)8-7-11-19(12-15)14(20)16(13(17)18-21)9-5-3-4-6-10-16/h21H,3-12H2,1-2H3,(H2,17,18).
What are the key properties of 1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide?
1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide has a molecular weight of 295.43 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide is sourced from PubChem (CID 77016550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).