1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide

C14H25N3O2 — CID 76939914

IUPAC1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC1CCN(C(=O)C2(C(N)=NO)CCCC2)C(C)C1
InChIInChI=1S/C14H25N3O2/c1-10-5-8-17(11(2)9-10)13(18)14(12(15)16-19)6-3-4-7-14/h10-11,19H,3-9H2,1-2H3,(H2,15,16)
InChIKeyCDUWODSRBOHIHM-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.94
Rot. Bonds2

About 1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide

1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 76939914) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID76939914
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC1CCN(C(=O)C2(C(N)=NO)CCCC2)C(C)C1
InChIInChI=1S/C14H25N3O2/c1-10-5-8-17(11(2)9-10)13(18)14(12(15)16-19)6-3-4-7-14/h10-11,19H,3-9H2,1-2H3,(H2,15,16)
InChIKeyCDUWODSRBOHIHM-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

1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 55037775
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 76207674
1-(N'-hydroxycarbamimidoyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 76921222
1-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 76921325
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 76921694
N'-hydroxy-1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide
CID 77073183
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
CID 77073199
N'-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboximidamide
CID 77073200
N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
CID 104871088
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylcyclopentanecarboxamide
CID 54988121
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3,5,5-tetramethylhexanamide
CID 54991592
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3,5,5-trimethylhexanamide
CID 54992415

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide (CID 76939914) is 1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide is CC1CCN(C(=O)C2(C(N)=NO)CCCC2)C(C)C1.
What is the InChIKey of 1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is CDUWODSRBOHIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10-5-8-17(11(2)9-10)13(18)14(12(15)16-19)6-3-4-7-14/h10-11,19H,3-9H2,1-2H3,(H2,15,16).
What are the key properties of 1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-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-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 76939914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).