1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide

C14H25N3O2 — CID 107182819

IUPAC1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESCC1(C)CCCC1C(=O)N1CCCCC1C(N)=NO
InChIInChI=1S/C14H25N3O2/c1-14(2)8-5-6-10(14)13(18)17-9-4-3-7-11(17)12(15)16-19/h10-11,19H,3-9H2,1-2H3,(H2,15,16)
InChIKeyXBMWCWXAINGSBX-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.94
Rot. Bonds2

About 1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide

1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 107182819) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide
PubChem CID107182819
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESCC1(C)CCCC1C(=O)N1CCCCC1C(N)=NO
InChIInChI=1S/C14H25N3O2/c1-14(2)8-5-6-10(14)13(18)17-9-4-3-7-11(17)12(15)16-19/h10-11,19H,3-9H2,1-2H3,(H2,15,16)
InChIKeyXBMWCWXAINGSBX-UHFFFAOYSA-N
XLogP1.94
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.94
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

(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175429
(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
CID 21355915
N'-hydroxy-1-(thiolane-2-carbonyl)piperidine-2-carboximidamide
CID 77041398
[2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183977
1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 107175956
1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one
CID 107178848
(4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107181025
(2,2-dimethylcyclohexyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107180809
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate
CID 130131589
(2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone
CID 107180505
N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide
CID 77041611

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide (CID 107182819) is 1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide is CC1(C)CCCC1C(=O)N1CCCCC1C(N)=NO.
What is the InChIKey of 1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is XBMWCWXAINGSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2)8-5-6-10(14)13(18)17-9-4-3-7-11(17)12(15)16-19/h10-11,19H,3-9H2,1-2H3,(H2,15,16).
What are the key properties of 1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide?
1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 267.37 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 107182819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).