4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide

C23H30F2N6O2 — CID 138676362

IUPAC4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide
SMILESCC1CCCC1N1CCC(NC(=O)c2cn(-c3ccc(F)cc3F)nn2)C(C(=O)N(C)C)C1
InChIInChI=1S/C23H30F2N6O2/c1-14-5-4-6-20(14)30-10-9-18(16(12-30)23(33)29(2)3)26-22(32)19-13-31(28-27-19)21-8-7-15(24)11-17(21)25/h7-8,11,13-14,16,18,20H,4-6,9-10,12H2,1-3H3,(H,26,32)
InChIKeyPRDYHLCZURGMBA-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.24
Rot. Bonds5

About 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide

4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide (PubChem CID 138676362) has the molecular formula C23H30F2N6O2 and a molecular weight of 460.53 g/mol. Its IUPAC name is 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide
PubChem CID138676362
Molecular FormulaC23H30F2N6O2
Molecular Weight460.53 g/mol
Exact Mass460.24
IUPAC Name4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide
SMILESCC1CCCC1N1CCC(NC(=O)c2cn(-c3ccc(F)cc3F)nn2)C(C(=O)N(C)C)C1
InChIInChI=1S/C23H30F2N6O2/c1-14-5-4-6-20(14)30-10-9-18(16(12-30)23(33)29(2)3)26-22(32)19-13-31(28-27-19)21-8-7-15(24)11-17(21)25/h7-8,11,13-14,16,18,20H,4-6,9-10,12H2,1-3H3,(H,26,32)
InChIKeyPRDYHLCZURGMBA-UHFFFAOYSA-N
XLogP2.24
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide?
The IUPAC name of 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide (CID 138676362) is 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide.
What is the SMILES notation for 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide?
The canonical SMILES for 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide is CC1CCCC1N1CCC(NC(=O)c2cn(-c3ccc(F)cc3F)nn2)C(C(=O)N(C)C)C1.
What is the InChIKey of 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide?
The InChIKey is PRDYHLCZURGMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N6O2/c1-14-5-4-6-20(14)30-10-9-18(16(12-30)23(33)29(2)3)26-22(32)19-13-31(28-27-19)21-8-7-15(24)11-17(21)25/h7-8,11,13-14,16,18,20H,4-6,9-10,12H2,1-3H3,(H,26,32).
What are the key properties of 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide?
4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]-N,N-dimethyl-1-(2-methylcyclopentyl)piperidine-3-carboxamide is sourced from PubChem (CID 138676362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).