4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C10H17F3N4O — CID 107162764

IUPAC4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILES[H]/N=C(\N)C1(C)CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N4O/c1-9(7(14)15)2-4-17(5-3-9)8(18)16-6-10(11,12)13/h2-6H2,1H3,(H3,14,15)(H,16,18)
InChIKeyBPZAHRHGZTVIOL-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.30
Rot. Bonds2

About 4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 107162764) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is 4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID107162764
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILES[H]/N=C(\N)C1(C)CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N4O/c1-9(7(14)15)2-4-17(5-3-9)8(18)16-6-10(11,12)13/h2-6H2,1H3,(H3,14,15)(H,16,18)
InChIKeyBPZAHRHGZTVIOL-UHFFFAOYSA-N
XLogP1.30
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 107162764) is 4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is [H]/N=C(\N)C1(C)CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is BPZAHRHGZTVIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-9(7(14)15)2-4-17(5-3-9)8(18)16-6-10(11,12)13/h2-6H2,1H3,(H3,14,15)(H,16,18).
What are the key properties of 4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 266.27 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamimidoyl-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 107162764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).